data_6o0i_residue ############################ # Computer software used # ############################ 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 6o0i _Structure_validation_residue.Date_analyzed 2020-04-17 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 ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.797 0.332 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -57.11 -41.54 79.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.257 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.01 -43.01 99.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.244 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.45 -49.41 77.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.182 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -60.75 -39.08 87.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.23 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -62.39 -39.7 94.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 mt -74.26 -26.6 60.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.8 -40.1 94.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.225 174.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -65.41 -42.19 92.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.0 -43.21 86.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.226 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -54.71 -49.48 70.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.198 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -53.65 -45.93 70.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.275 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.6 -43.46 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -56.58 -49.36 75.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.17 -40.79 86.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -64.9 -39.81 94.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.35 -49.92 75.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.273 176.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.68 -41.37 98.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -175.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.14 -41.27 81.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.234 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -136.61 79.18 41.52 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.214 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -54.51 134.58 62.47 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.724 1.616 . . . . 0.0 111.239 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.8 p -164.94 156.83 15.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.211 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.33 -38.24 76.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.69 -52.53 64.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.86 -33.21 75.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.297 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.6 mt -63.11 -49.65 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.7 t -64.83 -42.63 95.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.228 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -65.09 -39.16 92.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.92 92.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.76 -46.83 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.7 ttp85 -52.42 -52.39 54.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.314 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.12 85.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 82.3 mt -63.55 -46.91 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.56 -46.41 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -63.96 -41.07 97.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -67.96 -35.2 77.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.289 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -59.89 -41.64 92.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 176.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.08 98.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -61.46 -40.05 93.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.211 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 90.1 mt -62.33 -47.67 91.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.63 -41.39 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -64.68 -39.25 93.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.65 98.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 173.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.42 -44.86 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.22 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -49.35 -56.5 9.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.237 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.4 93.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.204 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 87.9 mt -59.32 -46.54 92.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.4 t -62.21 -42.01 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.69 -40.44 92.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.255 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.45 -42.63 95.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.37 -38.92 85.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.14 90.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.132 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -64.08 -38.57 91.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.26 -41.96 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.16 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.3 t -59.37 -46.39 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.194 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.54 -42.04 95.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -61.61 -38.51 87.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.181 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -61.96 -38.26 87.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.89 -37.71 88.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.22 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.03 87.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.484 HG13 HE21 ' C' ' 87' ' ' GLN . 82.4 mt -59.7 -44.08 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 175.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.92 -47.93 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.35 -43.09 96.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.81 93.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.254 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.5 tp -64.51 -47.98 76.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.54 -33.98 74.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.179 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.72 -59.04 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.4 pt -73.56 -22.02 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -175.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.3 11.43 67.17 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.57 133.37 35.0 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -175.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.436 ' H ' HD11 ' A' ' 81' ' ' LEU . . . 95.91 -14.75 64.22 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.423 HG22 ' H ' ' A' ' 80' ' ' ILE . 56.9 m -86.31 142.93 28.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 111.205 -178.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.47 -32.27 26.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.176 -174.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.423 ' H ' HG22 ' A' ' 78' ' ' THR . 50.4 pt -50.23 -23.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 -172.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.436 HD11 ' H ' ' A' ' 77' ' ' GLY . 91.9 mt -54.68 -36.49 64.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.273 -177.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -62.48 -34.2 76.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -101.1 -35.39 9.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 -171.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 79.5 mmm -66.1 -32.86 74.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.252 -177.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.0 -35.65 80.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.55 -42.0 98.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.486 HE21 HG13 ' B' ' 67' ' ' ILE . 46.3 tt0 -60.23 -46.9 88.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.207 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 tt -52.39 -45.86 66.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.38 -38.11 88.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.199 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.11 -38.6 85.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.251 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.03 -40.38 96.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -57.32 -45.79 83.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 174.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 175.917 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.866 0.365 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -57.12 -41.5 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.266 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.09 -43.06 99.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -59.37 -49.35 78.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.245 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -60.83 -39.09 87.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -62.44 -39.61 93.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.273 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 63.5 mt -74.32 -26.61 60.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.86 -40.02 93.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 174.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -65.49 -42.07 92.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.141 172.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 57.3 tp -58.11 -43.11 87.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.182 176.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -54.77 -49.51 70.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -53.65 -45.91 70.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.273 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.63 -43.42 98.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.8 tp -56.65 -49.24 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.3 -40.67 86.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.0 -39.7 93.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.39 -49.96 75.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.275 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.64 -41.42 98.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 -175.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.17 -41.18 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.252 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -136.68 79.19 41.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.48 134.56 62.28 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.657 1.572 . . . . 0.0 111.261 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 93.9 p -164.92 156.91 15.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.199 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.33 -38.31 76.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.69 -52.48 64.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.92 -33.26 75.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.234 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.02 -49.7 82.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 177.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 63.2 t -64.86 -42.62 95.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -65.08 -39.21 92.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.89 92.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.85 -46.76 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -52.49 -52.38 54.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.266 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.11 86.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 82.7 mt -63.48 -46.9 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.23 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -58.69 -46.26 90.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.199 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -64.01 -41.09 97.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.207 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -67.99 -35.24 78.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.83 -41.64 91.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 176.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.1 98.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.193 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -61.47 -39.97 92.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.238 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 89.9 mt -62.43 -47.64 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.64 -41.39 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.243 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.62 -39.25 93.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.248 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.59 98.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 173.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 86.1 mt -61.39 -44.9 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 176.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -49.38 -56.43 9.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.5 -44.45 93.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -177.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.28 -46.58 92.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 43.9 t -62.3 -41.87 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.68 -40.59 92.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 176.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.42 -42.56 95.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.4 -38.94 85.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.229 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.22 90.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.14 176.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -64.01 -38.67 91.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.21 -41.93 94.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 50.2 t -59.37 -46.4 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.54 -42.1 95.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 174.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -61.48 -38.64 88.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.191 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -62.01 -38.13 87.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.9 -37.74 88.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.273 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.05 87.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.486 HG13 HE21 ' A' ' 87' ' ' GLN . 82.5 mt -59.67 -44.11 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 175.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.9 -47.86 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.42 -43.13 97.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.85 94.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.279 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 66.8 tp -64.54 -47.92 76.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.193 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.5 -34.12 74.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.67 -59.03 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.228 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 pt -73.54 -21.96 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 -175.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.41 11.47 66.95 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.61 133.36 35.17 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . 0.445 ' H ' HD11 ' B' ' 81' ' ' LEU . . . 95.86 -14.61 64.46 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.409 HG22 ' H ' ' B' ' 80' ' ' ILE . 56.3 m -86.38 142.8 28.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.759 0.314 . . . . 0.0 111.218 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.32 -32.36 25.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.233 -174.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.409 ' H ' HG22 ' B' ' 78' ' ' THR . 50.5 pt -50.14 -23.61 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.219 -172.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.445 HD11 ' H ' ' B' ' 77' ' ' GLY . 91.9 mt -54.6 -36.55 64.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.228 -177.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.49 -34.22 76.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -174.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -101.15 -35.43 9.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -171.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 79.5 mmm -66.06 -32.89 74.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.08 -35.54 80.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 176.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.61 -41.93 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.178 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . 0.47 HE21 HG13 ' C' ' 67' ' ' ILE . 46.3 tt0 -60.22 -46.85 88.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 177.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.401 ' C ' HD23 ' B' ' 88' ' ' LEU . 9.7 tt -52.46 -45.82 66.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.35 -38.23 88.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.19 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.95 -38.65 86.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.264 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.05 -40.43 96.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.191 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -57.24 -45.84 83.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 175.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.821 0.343 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -57.25 -41.47 79.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.243 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.08 -43.06 99.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.38 -49.39 78.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.268 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -60.74 -39.1 87.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.247 -175.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 64.0 m -62.43 -39.66 94.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.236 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 mt -74.29 -26.62 60.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.82 -40.05 93.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.258 174.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -65.43 -42.17 92.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.222 172.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 57.2 tp -57.98 -43.13 86.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 176.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -54.74 -49.51 70.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -53.71 -45.9 70.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.61 -43.42 98.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 57.7 tp -56.57 -49.34 75.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.238 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.15 -40.79 86.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.248 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -64.89 -39.77 94.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.171 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.32 -49.94 75.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.263 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.69 -41.38 98.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 -175.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.19 -41.11 81.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.25 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -136.71 79.15 40.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.51 134.6 62.59 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.674 1.583 . . . . 0.0 111.279 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 94.9 p -164.95 156.89 15.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.21 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.35 -38.28 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.207 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.67 -52.47 65.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.208 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.94 -33.24 75.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.276 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.0 -49.71 82.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.219 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.79 -42.7 95.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -65.01 -39.17 93.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.261 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.89 92.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.82 -46.81 95.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.182 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -52.44 -52.5 53.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.232 178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.41 -40.09 85.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.254 -178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.5 -46.96 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -58.6 -46.33 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -64.02 -41.04 97.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -68.04 -35.16 77.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.89 -41.61 92.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 176.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.13 98.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.37 -40.1 93.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.254 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.22 -47.69 91.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.274 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.7 -41.29 91.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.292 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -64.67 -39.28 93.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.189 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.52 98.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.191 173.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.52 -44.85 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -49.4 -56.39 9.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.47 93.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 87.9 mt -59.32 -46.56 92.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 44.5 t -62.23 -42.04 93.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.55 -40.53 91.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.259 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.48 -42.52 95.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 174.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.41 -38.96 85.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.194 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.19 90.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -64.01 -38.56 91.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.33 -41.86 94.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.216 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 50.3 t -59.38 -46.45 92.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 176.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.46 -42.11 95.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 174.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -61.54 -38.56 87.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.185 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -62.04 -38.15 87.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.9 -37.74 88.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.221 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.05 87.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . 0.47 HG13 HE21 ' B' ' 87' ' ' GLN . 82.4 mt -59.69 -44.1 92.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.235 175.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.92 -47.87 91.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.46 -42.98 97.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.241 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.78 93.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.239 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 66.5 tp -64.5 -47.92 77.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.237 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.53 -34.04 74.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.76 -58.9 6.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.284 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 34.6 pt -73.68 -21.93 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.196 -175.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.38 11.45 67.01 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.56 133.33 35.0 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . 0.43 ' H ' HD11 ' C' ' 81' ' ' LEU . . . 95.91 -14.7 64.3 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.419 HG22 ' H ' ' C' ' 80' ' ' ILE . 56.3 m -86.36 142.84 28.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 0.0 111.239 -178.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.39 -32.34 25.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.116 -174.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 80' ' ' ILE . . . . . 0.419 ' H ' HG22 ' C' ' 78' ' ' THR . 50.4 pt -50.2 -23.61 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.236 -172.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . 0.43 HD11 ' H ' ' C' ' 77' ' ' GLY . 91.8 mt -54.57 -36.54 64.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.254 -177.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.54 -34.14 76.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -174.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -101.17 -35.41 9.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 -171.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 79.5 mmm -66.03 -32.93 74.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.211 -177.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -66.96 -35.65 80.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.58 -41.92 98.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . 0.484 HE21 HG13 ' A' ' 67' ' ' ILE . 46.3 tt0 -60.28 -46.86 88.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 177.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 88' ' ' LEU . . . . . 0.4 HD23 ' C ' ' C' ' 88' ' ' LEU . 9.7 tt -52.41 -45.89 66.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.33 -38.19 88.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -67.0 -38.65 86.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.253 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.0 -40.44 96.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.253 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -57.22 -45.84 83.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 175.936 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.874 0.368 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.94 -34.63 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.83 -47.06 79.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.281 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.98 -41.51 95.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -61.44 -40.42 94.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.25 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.2 m -61.63 -39.38 91.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.19 -42.53 86.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.53 -35.68 81.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -63.04 -40.83 98.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 175.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.71 -39.54 91.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -58.31 -51.41 69.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.2 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -55.34 -48.51 74.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.283 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.01 -43.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.7 -45.94 85.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.202 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.45 -38.91 85.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.262 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -65.42 -38.57 90.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.9 mt -62.26 -38.75 90.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.207 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.75 -38.04 86.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -77.07 -39.81 48.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.233 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -153.82 95.76 2.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.22 60.67 7.94 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.706 1.604 . . . . 0.0 111.212 -175.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.4 p -76.75 158.74 30.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.63 -36.53 74.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.221 175.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.44 -48.79 79.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.216 177.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -67.25 -35.41 79.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.179 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.4 mt -65.17 -49.09 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.59 -33.29 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.295 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.56 -36.19 78.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.211 173.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.73 90.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.42 -46.43 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.208 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -50.83 -53.95 27.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.72 83.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.24 -46.25 87.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.55 -43.85 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.03 -40.32 97.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.265 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -63.11 -40.94 99.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.25 -36.22 79.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.0 -41.51 87.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.252 175.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.85 -37.77 79.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.183 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.95 -50.96 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.2 -45.44 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.242 -175.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -66.33 -39.69 89.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.17 97.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.212 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.51 -47.1 93.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.203 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -57.77 -42.67 84.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.26 95.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.248 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.405 HG21 ' CG2' ' C' ' 53' ' ' ILE . 96.3 mt -62.27 -40.46 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.92 -48.0 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.207 175.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.15 -42.11 89.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.18 -41.48 98.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.278 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -64.58 -38.09 89.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.268 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.73 89.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 175.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -64.92 -42.51 94.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.85 -50.24 81.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.237 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.88 -43.88 99.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.211 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -63.97 -39.13 93.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.32 -37.44 85.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.18 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -59.67 -37.91 80.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.235 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.63 -42.35 99.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.32 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.62 87.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 177.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.96 -44.12 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.61 -40.22 88.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.189 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.58 -39.73 85.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 175.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.47 -37.89 87.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 174.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.27 -49.97 74.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 172.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.478 ' OE2' ' NZ ' ' A' ' 85' ' ' LYS . 84.2 tt0 -58.31 -33.53 69.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 -177.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.27 -32.21 69.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.3 pt -117.32 -9.88 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.2 -172.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.97 1.72 71.09 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.74 142.35 48.14 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.1 -12.7 68.9 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 80' ' ' ILE . 88.3 m -110.66 136.22 50.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.347 . . . . 0.0 111.209 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.8 -27.18 16.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.219 -170.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.418 ' H ' HG22 ' A' ' 78' ' ' THR . 11.0 tp -54.07 -23.47 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 -178.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 81' ' ' LEU . 3.7 pp -59.41 -24.32 63.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 -175.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -73.05 -40.08 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.173 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.29 -34.53 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.212 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.46 -44.11 89.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.478 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 67.9 mttm -64.01 -38.49 91.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -61.68 -40.2 94.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -61.79 -36.6 81.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.26 -40.87 91.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.245 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.82 -41.19 95.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -62.22 -41.73 98.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.33 -39.78 92.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.2 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.36 -44.91 84.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 179.035 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.789 0.328 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.94 -34.66 76.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.147 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.78 -47.08 79.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.225 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -65.06 -41.41 95.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -61.39 -40.5 94.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.281 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 72.5 m -61.61 -39.44 91.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.19 -42.49 86.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.235 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.48 -35.72 81.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -63.0 -40.87 99.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 175.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.77 -39.5 91.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -58.29 -51.39 69.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.214 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -55.31 -48.54 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.306 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.99 -43.3 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 55.5 tp -57.79 -45.9 85.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.38 -38.97 85.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.276 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -65.41 -38.57 90.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 176.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 mt -62.29 -38.69 90.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.9 -37.97 86.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -77.03 -39.85 48.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -153.8 95.84 2.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -176.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -80.25 60.64 7.92 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.785 1.657 . . . . 0.0 111.194 -175.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 94.4 p -76.77 158.74 30.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.56 -36.58 74.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.273 175.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.41 -48.84 79.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -67.23 -35.35 79.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.247 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.12 -49.04 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.223 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.68 -33.22 52.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.263 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.6 -36.18 78.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 173.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.4 -45.63 90.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.243 174.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.42 -46.45 95.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -50.81 -53.91 28.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 174.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.74 84.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.2 mt -66.22 -46.28 87.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.51 -43.83 98.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.15 -40.27 97.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -63.07 -41.05 99.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 174.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.22 -36.24 79.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.227 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.62 87.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.252 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.81 -37.8 79.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.214 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.92 -50.95 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.25 -45.45 98.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 -175.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -66.17 -39.76 90.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.03 97.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.58 -47.11 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -57.8 -42.59 84.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.189 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.31 95.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . 0.403 HG21 ' CG2' ' A' ' 53' ' ' ILE . 96.4 mt -62.25 -40.5 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.1 t -57.78 -48.07 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.248 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.12 -42.15 89.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.14 -41.52 98.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -64.57 -38.07 89.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.265 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.53 -43.76 89.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.188 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -64.9 -42.54 94.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 176.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 78.7 mt -60.9 -50.21 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 71.3 t -62.8 -43.96 99.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -63.92 -39.14 93.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.217 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -66.21 -37.47 85.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.76 -37.88 80.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.63 -42.4 99.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.311 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.66 87.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.9 -44.09 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.221 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.65 -40.21 88.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.226 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.54 -39.78 85.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.86 87.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.235 174.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.2 -50.01 74.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.234 172.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.476 ' OE2' ' NZ ' ' B' ' 85' ' ' LYS . 84.2 tt0 -58.28 -33.59 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 -177.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.18 -32.21 69.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 47.6 pt -117.34 -9.85 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.195 -172.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.02 1.72 70.95 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.7 142.42 48.2 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -176.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.04 -12.64 69.03 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.415 HG22 ' H ' ' B' ' 80' ' ' ILE . 88.2 m -110.69 136.21 50.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 111.222 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.77 -27.28 17.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.159 -170.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.415 ' H ' HG22 ' B' ' 78' ' ' THR . 11.0 tp -54.05 -23.45 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.47 ' C ' HD12 ' B' ' 81' ' ' LEU . 3.7 pp -59.45 -24.28 63.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.188 -175.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -73.13 -40.07 65.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.22 -34.68 75.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.36 -44.11 88.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 176.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . 0.476 ' NZ ' ' OE2' ' B' ' 72' ' ' GLU . 67.9 mttm -63.98 -38.55 91.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.198 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -61.69 -40.08 93.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -61.84 -36.59 81.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 89.8 mt -60.29 -40.9 92.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.24 177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.76 -41.22 96.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.17 -41.81 98.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 92.0 mt -65.28 -39.8 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.214 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.28 -44.91 84.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.28 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 179.058 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.842 0.353 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.92 -34.61 76.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 tp -64.87 -47.04 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.21 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.94 -41.52 95.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -61.42 -40.44 94.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.245 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 72.3 m -61.65 -39.42 91.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 57.2 tp -58.17 -42.51 86.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 177.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.52 -35.68 81.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -63.07 -40.77 98.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 77.2 mt -61.76 -39.53 91.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -58.17 -51.49 69.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.236 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -55.33 -48.62 73.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.225 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.92 -43.21 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 55.4 tp -57.83 -45.93 85.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.37 -39.01 85.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.234 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -65.36 -38.6 90.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 47.8 mt -62.23 -38.76 90.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.188 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.79 -37.92 86.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -77.19 -39.78 47.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -153.82 95.76 2.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -176.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -80.22 60.63 7.92 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.739 1.626 . . . . 0.0 111.19 -175.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -76.79 158.82 30.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.209 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.55 -36.63 74.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.229 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.42 -48.86 79.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -67.26 -35.27 79.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.25 -49.07 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.64 -33.29 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.221 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.5 -36.23 78.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 173.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.58 91.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.264 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 93.0 mt -60.44 -46.48 95.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -50.75 -53.89 27.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.65 84.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.24 -46.36 87.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.44 -43.81 98.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.265 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.14 -40.25 97.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.188 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -63.14 -41.02 99.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 174.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -61.22 -36.27 79.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.97 -41.54 87.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.81 -37.82 79.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.179 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 74.5 mt -61.91 -50.97 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.2 -45.48 98.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 -175.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -66.24 -39.72 89.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.06 97.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.49 -47.14 92.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -57.85 -42.59 84.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.38 95.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.174 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.405 ' CG2' HG21 ' A' ' 53' ' ' ILE . 96.3 mt -62.16 -40.49 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.265 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.6 t -57.82 -48.11 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 175.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -59.08 -42.04 89.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.291 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.21 -41.59 98.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.22 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -64.46 -38.11 89.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.229 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.69 89.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 175.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -64.92 -42.45 94.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.278 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 79.0 mt -60.94 -50.18 81.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.91 -43.92 99.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -63.85 -39.15 93.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.221 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.33 -37.4 85.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.73 -37.84 80.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.249 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.68 -42.4 99.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.261 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.21 -38.65 87.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.95 -44.11 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 92.9 mt -64.66 -40.14 88.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.63 -39.65 85.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.205 175.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.91 87.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 174.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.22 -49.99 74.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.187 172.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' GLU . . . . . 0.475 ' OE2' ' NZ ' ' C' ' 85' ' ' LYS . 84.1 tt0 -58.24 -33.54 69.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.271 -177.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.29 -32.16 69.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 47.4 pt -117.38 -9.89 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.207 -172.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.99 1.74 71.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.75 142.39 48.16 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -176.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.1 -12.67 68.97 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.408 HG22 ' H ' ' C' ' 80' ' ' ILE . 87.9 m -110.72 136.22 50.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 111.188 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.75 -27.33 17.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -170.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 80' ' ' ILE . . . . . 0.408 ' H ' HG22 ' C' ' 78' ' ' THR . 11.0 tp -54.03 -23.36 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -177.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . 0.461 HD12 ' C ' ' C' ' 81' ' ' LEU . 3.7 pp -59.49 -24.33 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -175.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -73.07 -39.96 65.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -69.3 -34.61 74.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.46 -44.09 89.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 176.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 85' ' ' LYS . . . . . 0.475 ' NZ ' ' OE2' ' C' ' 72' ' ' GLU . 67.9 mttm -64.0 -38.52 91.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -61.56 -40.19 93.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.231 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -61.81 -36.68 81.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.21 -40.84 91.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.275 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.84 -41.19 95.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.25 -41.73 98.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.32 -39.78 92.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.258 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.28 -44.93 84.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.312 175.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 179.016 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.784 0.326 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.11 -31.64 72.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.277 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.16 -41.13 86.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.264 175.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.92 -43.36 79.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -52.82 -43.17 65.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.249 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.411 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 69.0 m -56.32 -43.44 78.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 177.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.84 -38.76 92.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.17 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.43 -37.59 85.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HE ' ' HA ' ' A' ' 12' ' ' SER . 74.0 mtm180 -62.68 -41.35 99.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.229 175.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.61 -38.38 90.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.234 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -54.71 -52.33 62.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -57.01 -44.04 82.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.246 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.0 mt -59.68 -44.45 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.237 178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.82 -42.43 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.158 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.35 -41.55 98.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.234 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.18 -42.42 93.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 175.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.51 -49.32 75.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.249 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.61 -43.1 99.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.52 -41.73 96.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -137.98 80.29 30.4 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -57.96 141.73 96.24 Favored 'Trans proline' 0 C--N 1.327 -0.571 0 C-N-CA 121.667 1.578 . . . . 0.0 111.209 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.3 p -162.19 153.12 17.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.191 175.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.7 -37.6 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.236 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -59.22 -53.02 63.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -71.64 -31.56 66.98 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.049 -174.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.8 -48.77 86.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.778 0.323 . . . . 0.0 111.197 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.62 -45.35 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.71 -41.33 98.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.29 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.12 99.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.87 -46.23 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.26 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.88 -45.92 89.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 175.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -41.43 84.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.21 -175.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -58.2 -45.68 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.291 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 80.7 t -66.61 -43.07 90.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.233 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.45 -35.13 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -79.17 -39.82 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.407 ' O ' HG12 ' A' ' 46' ' ' ILE . 90.6 m-20 -58.32 -34.37 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.83 -32.1 51.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.285 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -78.77 -36.31 43.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 -175.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 43' ' ' ASN . 4.7 pt -79.96 -28.88 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 -177.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.84 -39.3 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -63.17 -36.99 85.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 175.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.35 -31.72 72.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.181 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 92.4 mt -68.83 -48.22 71.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 171.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -63.25 -47.88 80.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 -175.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.8 -35.44 72.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 -174.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.9 mt -72.26 -36.66 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -176.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.23 -45.04 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 173.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.76 -40.35 97.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.249 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -58.24 -48.09 81.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.194 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -53.98 -47.23 71.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.1 -42.35 85.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -69.1 -38.84 79.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.53 -45.41 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.223 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.64 -45.54 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -63.12 -39.34 94.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.262 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.45 -42.41 92.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -60.48 -43.24 97.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -63.11 -42.4 99.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.246 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.24 89.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 92.4 mt -61.46 -46.48 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.232 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.89 -45.79 97.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.305 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.55 -39.1 82.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.213 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.52 -41.51 97.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.35 -39.08 93.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.72 -40.03 84.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 174.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.4 -37.34 80.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -177.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.5 tt -86.86 1.59 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.03 19.8 60.45 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.73 16.26 56.33 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.91 148.44 43.05 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -173.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 47.4 p -132.64 168.74 17.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.423 ' NZ ' ' OE2' ' A' ' 83' ' ' GLU . 66.1 tttm -54.16 -45.87 72.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 173.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.26 -46.68 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.4 mt -60.63 -42.5 97.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -177.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.86 -46.02 85.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.247 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.423 ' OE2' ' NZ ' ' A' ' 79' ' ' LYS . 97.0 mt-10 -61.35 -41.77 97.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.24 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 37.6 mmt -62.77 -43.03 99.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -57.0 -47.75 80.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 177.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.15 -40.87 86.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.162 -177.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.47 -41.63 88.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.44 -40.79 98.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.22 -50.0 73.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.61 -34.57 75.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.0 tp -49.2 -39.48 29.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -56.07 -28.39 57.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.231 -172.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.203 -176.89 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.804 0.335 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.1 -31.68 72.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.244 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -67.14 -41.14 86.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.283 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.97 -43.23 79.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.182 174.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -52.99 -43.05 66.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' SER . . . . . 0.411 ' HA ' ' HE ' ' B' ' 15' ' ' ARG . 68.7 m -56.46 -43.37 79.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 177.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.8 -38.7 91.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.278 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.46 -37.62 85.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.411 ' HE ' ' HA ' ' B' ' 12' ' ' SER . 74.0 mtm180 -62.62 -41.39 98.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.255 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.63 -38.36 90.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.238 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -54.62 -52.45 62.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -56.89 -44.15 82.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 92.0 mt -59.75 -44.39 93.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.75 -42.52 97.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.19 -41.7 98.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.267 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.15 -42.41 93.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 175.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.0 tp -62.51 -49.4 75.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.183 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.51 -43.07 99.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.28 -174.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.63 -41.63 96.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.227 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -138.09 80.31 29.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -57.93 141.76 96.19 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.673 1.582 . . . . 0.0 111.181 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 86.2 p -162.26 153.14 17.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 175.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -37.62 73.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -59.2 -53.0 63.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -71.6 -31.55 67.04 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.066 -174.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.82 -48.86 86.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.814 0.34 . . . . 0.0 111.179 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.52 -45.41 97.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.58 -41.41 98.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.27 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.1 99.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.247 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.83 -46.28 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.247 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.84 -45.92 88.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.164 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.42 -41.41 84.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -175.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.16 -45.8 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.63 -43.03 90.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.44 -35.13 75.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.215 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -79.11 -39.9 32.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.198 177.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.404 ' O ' HG12 ' B' ' 46' ' ' ILE . 90.6 m-20 -58.35 -34.37 70.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 177.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.75 -32.19 51.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.256 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -78.79 -36.33 42.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . 0.404 HG12 ' O ' ' B' ' 43' ' ' ASN . 4.7 pt -79.93 -28.85 12.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.274 -178.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.85 -39.29 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.196 175.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -63.1 -37.05 85.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -31.61 72.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.198 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 92.3 mt -68.84 -48.2 72.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -63.32 -47.82 80.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 -175.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.52 72.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 96.9 mt -72.2 -36.67 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -176.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.5 t -52.23 -45.0 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.231 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.7 -40.46 97.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 176.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -58.21 -48.08 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.256 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -53.96 -47.25 71.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.04 -42.47 85.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -68.96 -38.95 79.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 78.5 mt -62.45 -45.46 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.56 -45.55 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.231 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -63.13 -39.44 94.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.255 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.35 -42.5 92.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.166 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -60.48 -43.16 97.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -63.12 -42.45 99.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.233 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.24 89.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.47 -46.44 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.278 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.99 -45.79 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.195 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.61 -39.04 82.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.2 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.54 97.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 175.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.41 -39.02 93.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.77 -39.97 84.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.25 80.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 -177.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 15.4 tt -86.9 1.61 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.241 -176.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.03 19.77 60.5 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.71 16.23 56.39 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.94 148.44 43.0 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -173.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 47.5 p -132.65 168.69 17.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.356 . . . . 0.0 111.205 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -54.15 -45.81 72.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.215 173.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -46.56 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.65 -42.55 97.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.82 -46.04 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.38 -41.77 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.212 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 37.6 mmt -62.77 -43.09 99.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.165 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -56.87 -47.8 79.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.09 -40.89 87.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.46 -41.67 88.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.45 -40.74 97.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.225 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.21 -50.04 73.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.69 -34.42 75.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 tp -49.35 -39.43 31.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -55.95 -28.52 57.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -172.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 -176.844 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.811 0.339 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.09 -31.7 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.12 -41.17 86.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.294 175.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.96 -43.23 79.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 174.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -53.0 -43.05 66.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.412 ' HA ' ' HE ' ' C' ' 15' ' ' ARG . 68.7 m -56.41 -43.42 79.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 177.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.79 -38.78 92.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.37 -37.58 85.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.238 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' C' ' 12' ' ' SER . 74.0 mtm180 -62.73 -41.37 99.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 175.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.59 -38.37 90.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -54.61 -52.49 62.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.229 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -56.81 -44.24 81.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 91.7 mt -59.7 -44.39 93.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.81 -42.39 97.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.34 -41.63 98.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.198 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.19 -42.35 93.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.59 -49.4 75.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -62.6 -43.03 99.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 -174.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.67 -41.61 95.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -138.01 80.29 30.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 -178.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -57.94 141.78 96.23 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.662 1.575 . . . . 0.0 111.179 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -162.19 153.16 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.77 -37.54 73.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -59.33 -52.94 63.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -71.67 -31.54 66.92 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.038 -174.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.81 -48.76 86.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.786 0.327 . . . . 0.0 111.262 177.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.57 -45.37 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.263 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.68 -41.31 98.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.268 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.11 99.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.205 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.98 -46.19 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.232 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.78 -46.02 88.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.42 -41.24 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.296 -175.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 78.6 mt -58.35 -45.72 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.214 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 80.2 t -66.66 -43.03 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.51 -35.18 75.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -79.04 -39.82 32.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -58.46 -34.32 70.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.87 -32.19 52.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -78.67 -36.34 43.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.24 -175.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 pt -80.0 -28.81 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.279 -177.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.88 -39.23 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.207 175.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -63.1 -37.07 85.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 175.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.43 -31.7 72.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 174.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 92.1 mt -68.86 -48.15 72.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 171.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -63.28 -47.89 80.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.7 -35.53 72.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 96.9 mt -72.21 -36.71 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 -176.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.12 -45.1 41.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.76 -40.37 97.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 176.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.25 -48.04 81.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' ASN . . . . . 0.477 HD22 ' HA ' ' C' ' 57' ' ' ASN . 7.1 m120 -54.01 -47.21 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.239 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.36 85.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -69.09 -38.92 79.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 78.8 mt -62.49 -45.34 99.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.262 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.67 -45.53 97.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -63.12 -39.44 94.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.299 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -65.35 -42.49 92.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -60.46 -43.2 97.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 178.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -63.16 -42.4 99.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.22 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.62 -41.29 90.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.41 -46.44 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.245 176.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.04 -45.68 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.261 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.67 -39.04 83.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.193 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.56 97.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 175.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.36 -39.0 93.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.245 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.72 -40.03 84.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 174.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.45 -37.21 80.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.268 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 15.4 tt -86.89 1.52 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.03 19.86 60.35 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.78 16.3 56.22 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.92 148.41 42.98 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -173.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 47.5 p -132.63 168.74 17.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 111.238 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . 0.412 ' NZ ' ' OE2' ' C' ' 83' ' ' GLU . 66.1 tttm -54.1 -45.97 71.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 173.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.17 -46.66 95.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.219 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.62 -42.53 97.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.87 -46.02 85.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.229 176.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . 0.412 ' OE2' ' NZ ' ' C' ' 79' ' ' LYS . 97.1 mt-10 -61.35 -41.84 97.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.194 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 37.6 mmt -62.74 -43.01 99.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -57.0 -47.75 80.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.1 -40.84 87.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.225 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.5 -41.63 88.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.215 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.49 -40.74 97.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.237 178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.28 -50.02 73.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 176.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.51 -34.47 75.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.26 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 tp -49.42 -39.32 32.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.219 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -56.06 -28.5 57.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -176.895 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.8 0.333 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.75 -38.51 81.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.11 -39.8 94.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.248 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -62.21 -39.67 93.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -64.07 -40.33 96.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.154 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -63.34 -38.29 90.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.07 -39.15 88.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.279 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.96 -36.62 84.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -66.24 -41.94 89.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.15 -39.65 93.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -60.78 -49.93 75.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 174.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -52.08 -50.01 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.195 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.12 -45.54 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.271 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.3 -46.69 82.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.211 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -59.63 -43.43 93.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.17 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.2 -37.79 86.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.249 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.6 -50.17 73.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.278 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.26 -41.05 94.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.231 -176.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.19 -39.19 92.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.176 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -146.92 84.95 7.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -55.25 136.16 72.2 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.785 1.657 . . . . 0.0 111.161 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.0 p -161.78 155.51 21.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.57 -38.23 77.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.215 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.08 -51.74 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.228 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.9 -34.5 76.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 -176.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.52 -48.35 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.268 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.24 -45.17 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -66.5 -35.64 80.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.25 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.7 -49.66 76.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.252 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.77 -44.96 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -50.22 -56.15 12.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 173.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.85 84.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -176.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.37 -47.04 91.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.51 -44.49 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.76 -40.82 98.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.201 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -63.16 -44.95 94.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -58.86 -41.11 86.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.72 -41.09 85.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.04 -39.91 90.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 178.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 91.8 mt -62.44 -47.76 91.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.214 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.0 -45.71 98.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -65.93 -35.71 81.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.87 -53.07 61.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 pt -70.97 -28.03 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 -175.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -62.05 -48.33 80.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.227 175.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.6 96.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.08 -44.26 94.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.207 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.06 -43.7 93.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -62.01 -41.26 97.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.251 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.95 -39.87 95.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 175.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.16 -37.82 88.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.08 80.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.27 -39.3 94.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.064 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.03 -41.13 91.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 175.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.75 -45.65 94.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.7 -43.83 90.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.285 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -57.56 -46.8 83.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.223 174.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.41 -39.44 83.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -59.09 -47.81 83.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 175.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.27 80.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.278 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.7 mt -60.13 -44.93 96.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.61 -44.3 99.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.56 -40.85 96.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.221 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.45 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.0 mt -59.28 -42.99 92.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.231 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -63.21 -36.89 85.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.52 91.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.7 pt -106.52 -23.14 4.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 -169.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.44 22.96 4.1 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -174.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.64 146.31 38.23 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.6 -19.36 52.81 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 88.5 m -62.06 130.31 44.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 111.231 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.88 -42.86 72.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.23 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.3 mm -57.71 -41.54 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.231 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.5 -36.61 79.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.261 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -61.1 -36.06 78.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.32 -36.31 58.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 82.9 mtp -61.06 -29.07 69.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.14 -25.99 62.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.259 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -75.31 -44.09 47.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.155 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.2 -30.65 71.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.199 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.522 ' O ' HD23 ' A' ' 88' ' ' LEU . 10.3 tt -57.83 -29.11 64.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.249 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.08 -45.28 92.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.88 -35.94 72.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.177 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.03 -51.54 69.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.285 175.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.86 -37.66 77.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 -176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -175.512 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.868 0.366 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.77 -38.58 82.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.06 -39.85 94.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -62.18 -39.76 93.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -63.96 -40.34 96.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.976 0.417 . . . . 0.0 111.224 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -63.37 -38.27 90.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.09 -39.23 89.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.208 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.93 -36.55 84.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -66.31 -41.93 88.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.2 175.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.17 -39.62 93.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -60.77 -49.91 75.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.207 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -52.11 -50.02 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.03 -45.61 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.279 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 56.7 tp -57.31 -46.63 83.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 -177.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.73 -43.32 94.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.229 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.26 -37.78 86.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.223 176.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.63 -50.21 73.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.298 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.14 -41.14 95.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.263 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.07 -39.32 93.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.188 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -146.83 84.91 7.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.185 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -55.24 136.15 72.16 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.679 1.586 . . . . 0.0 111.204 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 95.6 p -161.75 155.59 21.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.2 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.54 -38.34 77.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.94 -51.86 67.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.91 -34.43 76.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -63.56 -48.4 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.234 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.11 -45.3 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.43 -35.59 80.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.82 -49.64 76.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.21 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.75 -44.99 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -50.23 -56.17 12.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.97 84.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.0 mt -64.29 -47.11 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.191 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.43 -44.5 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.243 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.76 -40.85 98.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.201 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -63.09 -44.96 94.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -58.77 -41.25 86.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.64 -41.11 85.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.216 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -66.11 -39.83 90.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.49 -47.79 91.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.158 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.01 -45.59 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.202 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -66.05 -35.7 81.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.09 61.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 pt -71.04 -27.88 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.216 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -62.18 -48.27 80.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.238 175.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.66 96.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 176.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.09 -44.3 94.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.07 -43.7 93.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.204 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -61.89 -41.37 97.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.312 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.84 -39.81 95.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.286 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.31 -37.7 88.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.04 -39.06 80.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.231 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.3 -39.25 94.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.95 -41.12 91.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.73 -45.65 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.22 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -58.68 -43.85 90.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.273 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -57.56 -46.82 83.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 174.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -59.39 -39.5 83.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -58.96 -47.79 83.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.271 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.19 81.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.219 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 67.4 mt -60.12 -44.96 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.66 -44.23 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.175 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.54 -40.82 96.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.236 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.49 -42.47 98.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 52.3 mt -59.23 -43.05 92.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -63.19 -36.88 85.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.83 -38.55 91.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.227 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 39.2 pt -106.43 -23.24 4.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 -169.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.38 22.95 4.11 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.53 146.29 37.85 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -175.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.5 -19.27 53.28 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 88.7 m -62.12 130.28 44.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.795 0.331 . . . . 0.0 111.271 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.8 -43.03 72.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 42.1 mm -57.6 -41.58 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.19 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.48 -36.66 79.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.23 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.01 -36.15 78.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.3 -36.32 58.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 176.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 82.8 mtp -61.02 -29.05 69.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -58.18 -26.0 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.188 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -75.21 -44.2 47.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.219 174.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.16 -30.62 71.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.208 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.525 HD23 ' O ' ' B' ' 88' ' ' LEU . 10.3 tt -57.83 -29.12 64.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.303 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.07 -45.33 92.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.144 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.89 -35.93 72.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 56.5 tp -58.04 -51.48 69.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.93 -37.63 77.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 -175.457 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 . . . . . 0 CA--C 1.523 -0.087 0 CA-C-O 120.849 0.357 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.76 -38.55 82.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.09 -39.79 94.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -62.25 -39.66 93.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -64.14 -40.18 95.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.22 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -63.44 -38.25 90.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.08 -39.2 88.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.02 -36.49 84.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -66.26 -41.96 89.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.247 175.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.17 -39.7 93.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -60.76 -49.83 75.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -52.24 -49.93 63.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.05 -45.66 83.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.206 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.36 -46.57 83.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.72 -43.25 94.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.265 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.31 -37.76 86.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.193 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.72 -50.21 73.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.237 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.09 -41.17 95.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.1 -39.2 92.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -146.95 84.86 7.25 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -55.24 136.18 72.24 Favored 'Trans proline' 0 C--N 1.327 -0.57 0 C-N-CA 121.688 1.592 . . . . 0.0 111.193 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 95.4 p -161.83 155.6 21.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.58 -38.23 77.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.251 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.05 -51.81 68.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.162 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.89 -34.5 76.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 80.2 mt -63.53 -48.41 87.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.23 -45.11 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -66.52 -35.61 80.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.266 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.6 76.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.28 173.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.78 -45.02 98.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -50.18 -56.08 12.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.29 173.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.93 84.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 -176.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.37 -47.02 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.23 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.42 -44.6 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.68 -40.82 98.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.26 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -63.16 -44.97 93.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -58.72 -41.15 85.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.67 -41.19 85.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.21 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.02 -39.82 90.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 91.9 mt -62.45 -47.84 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.88 -45.68 98.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.265 -178.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.09 -35.66 81.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.09 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.88 -53.02 62.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.226 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 41.1 pt -71.06 -27.9 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -62.27 -48.21 80.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.164 175.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.63 96.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.0 -44.33 94.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.01 -43.78 93.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.203 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -61.92 -41.33 97.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.256 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.81 -39.95 95.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 175.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.16 -37.7 88.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.04 80.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.31 -39.28 94.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.87 -41.24 91.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.208 175.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 51.7 t -59.68 -45.63 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.7 -43.92 90.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.273 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -57.53 -46.85 83.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.241 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.29 -39.48 83.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.268 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -59.07 -47.72 84.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.247 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.09 80.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.367 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.23 -44.9 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.121 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.72 -44.17 99.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.198 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.57 -40.85 96.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.38 98.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 52.7 mt -59.25 -43.05 92.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.189 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -63.32 -36.78 84.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.52 91.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 39.4 pt -106.53 -23.12 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.173 -169.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.42 22.95 4.1 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.61 146.38 38.0 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.5 -19.37 52.88 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 88.8 m -62.07 130.4 45.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.84 0.352 . . . . 0.0 111.179 177.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.99 -42.92 73.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.141 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 42.3 mm -57.58 -41.6 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.233 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.45 -36.65 79.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.265 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.01 -36.14 78.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.28 -36.38 58.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 176.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 83.0 mtp -60.98 -29.07 69.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -58.18 -25.99 62.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -75.14 -44.26 47.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.12 -30.64 71.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 88' ' ' LEU . . . . . 0.503 ' O ' HD23 ' C' ' 88' ' ' LEU . 10.3 tt -57.88 -29.07 64.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.237 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.12 -45.29 92.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.79 -35.94 72.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.213 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.03 -51.57 69.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.223 175.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.81 -37.7 76.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.228 -176.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -175.495 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.774 0.321 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -58.69 -38.55 78.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.02 -40.97 99.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -61.79 -48.37 80.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.248 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -62.97 -38.45 91.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -62.37 -42.41 99.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.229 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.04 -39.55 92.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.183 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.66 -39.62 94.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.166 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -68.98 -38.0 79.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.223 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.38 -41.3 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.39 -49.81 76.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 173.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -53.42 -50.11 65.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.64 -45.15 89.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.52 -47.48 81.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.78 -42.3 93.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.24 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.38 -38.37 87.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.73 -49.97 74.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.221 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.31 -41.16 96.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.95 -42.33 76.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -138.11 80.63 28.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -54.28 135.49 65.27 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.736 1.624 . . . . 0.0 111.2 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.1 p -163.17 156.19 19.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.47 -38.4 77.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.199 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.09 -52.5 65.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -67.06 -34.1 76.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.277 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -63.61 -48.97 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.1 t -64.34 -44.13 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.64 -37.94 89.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.08 -49.22 78.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 174.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.81 -44.68 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.179 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -53.1 -54.63 32.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.67 -37.54 81.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -64.47 -47.16 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.87 -43.65 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.19 -41.91 98.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -63.0 -43.61 98.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -59.07 -41.65 88.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.197 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.01 91.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.202 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -64.71 -41.52 95.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.64 -50.47 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.01 -42.71 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.181 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -59.26 -48.17 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.24 -41.48 93.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.0 mt -61.26 -41.23 88.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -47.82 -52.38 19.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.212 173.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.61 85.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.78 -44.29 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.91 -42.58 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.34 -41.22 96.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.05 -48.63 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 172.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.28 -38.28 83.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.211 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.16 95.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -64.59 -37.63 88.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.247 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.449 HG23 HD21 ' C' ' 64' ' ' ASN . 79.9 mt -62.21 -43.46 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.23 -44.36 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.1 -36.93 85.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.213 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.64 -43.93 95.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.205 175.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.438 HD21 HG23 ' B' ' 60' ' ' ILE . 93.6 m-20 -56.33 -45.89 80.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 176.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -55.62 -50.87 68.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.09 -39.49 82.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.93 -46.96 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.18 -42.96 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.225 -178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.64 -43.7 98.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 176.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.24 94.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.226 174.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.54 -49.66 76.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.32 -41.57 89.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.32 -36.18 72.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 -175.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 pt -101.91 5.85 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.209 -178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.23 -118.47 1.99 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 -173.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.36 -177.25 45.21 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.63 126.6 9.96 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.1 p -134.29 162.29 32.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.153 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' NZ ' ' OE2' ' A' ' 83' ' ' GLU . 65.3 tttm -55.52 -44.85 77.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 172.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.44 -42.54 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.72 -49.12 66.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.235 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.11 -46.99 78.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' OE2' ' NZ ' ' A' ' 79' ' ' LYS . 97.8 mt-10 -62.28 -39.81 94.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 -178.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 72.3 mtm -64.17 -41.29 97.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.87 -33.44 75.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.235 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.63 -39.42 88.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 172.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -64.23 -35.57 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.7 mt -58.36 -39.36 79.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.26 177.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.52 -44.35 96.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.48 -42.08 96.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.47 -39.28 93.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -72.02 -45.58 60.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.096 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.736 0.303 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.64 -38.55 78.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 -175.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.96 -41.0 99.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.219 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' B' ' 14' ' ' GLU . 64.4 tttm -61.74 -48.42 80.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -62.99 -38.43 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -62.37 -42.41 99.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.211 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.03 -39.55 92.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.205 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' B' ' 10' ' ' LYS . 98.5 mt-10 -62.71 -39.56 94.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 177.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -68.98 -38.05 79.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 177.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 61.5 mt -62.3 -41.3 98.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.236 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.44 -49.82 76.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -53.33 -50.2 65.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.6 -45.11 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.25 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.54 -47.46 81.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 -177.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.72 -42.38 92.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.38 -38.41 87.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 175.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.67 -50.03 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.25 -41.18 97.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.96 -42.32 76.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -138.05 80.6 29.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -54.25 135.53 65.29 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.719 1.613 . . . . 0.0 111.196 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.3 p -163.21 156.2 18.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.247 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.44 -38.39 77.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.186 177.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.18 -52.46 65.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -67.04 -34.12 77.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.264 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.63 -49.0 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.6 t -64.27 -44.18 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.65 -37.92 89.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.02 -49.22 78.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 174.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.83 -44.7 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -53.05 -54.6 33.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.57 82.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.4 -47.21 90.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.201 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.86 -43.62 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.12 -41.97 98.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.199 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -63.0 -43.55 98.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.206 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -59.16 -41.55 88.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 178.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.01 92.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.207 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -64.73 -41.48 95.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.56 -50.53 80.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.98 -42.71 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -59.28 -48.14 82.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.46 93.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.19 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 67.8 mt -61.27 -41.22 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -47.76 -52.42 18.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 173.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.57 85.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.78 -44.29 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.195 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.89 -42.66 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.24 -41.26 96.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.192 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.03 -48.61 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 172.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.37 -38.24 83.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.203 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.31 -42.14 94.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.248 177.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -64.7 -37.56 87.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.243 177.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . 0.438 HG23 HD21 ' A' ' 64' ' ' ASN . 80.1 mt -62.23 -43.45 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.13 -44.43 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.08 -36.97 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.197 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.65 -43.84 95.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.236 175.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.44 HD21 HG23 ' C' ' 60' ' ' ILE . 93.6 m-20 -56.39 -45.89 80.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 176.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -55.6 -50.9 68.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 176.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.46 82.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.154 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.97 -46.97 92.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.11 -43.0 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.198 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.64 -43.63 98.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.22 -39.3 94.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.52 -49.64 76.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.36 -41.5 89.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.19 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.38 -36.2 73.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 -175.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 pt -101.88 5.87 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.229 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.23 -118.47 1.99 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -173.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.36 -177.23 45.2 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.62 126.54 9.94 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 60.7 p -134.28 162.29 32.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.356 . . . . 0.0 111.146 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . 0.434 ' NZ ' ' OE2' ' B' ' 83' ' ' GLU . 65.3 tttm -55.48 -44.82 76.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.227 172.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.48 -42.59 96.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 58.1 tp -52.7 -49.08 66.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.272 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.18 -46.98 79.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.434 ' OE2' ' NZ ' ' B' ' 79' ' ' LYS . 97.8 mt-10 -62.29 -39.79 94.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.235 -178.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 72.3 mtm -64.16 -41.21 97.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.91 -33.46 75.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.217 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.57 -39.45 88.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 172.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.2 -35.56 81.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.45 -39.34 79.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.51 -44.29 96.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.215 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.56 -42.06 95.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.46 -39.25 93.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.189 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -72.13 -45.49 60.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.094 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.749 0.309 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.65 -38.6 78.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -175.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.91 -41.02 99.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' LYS . . . . . 0.424 ' NZ ' ' OE2' ' C' ' 14' ' ' GLU . 64.4 tttm -61.81 -48.37 80.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.213 178.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -62.91 -38.48 91.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -62.39 -42.42 99.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.219 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.96 -39.6 92.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.226 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . 0.424 ' OE2' ' NZ ' ' C' ' 10' ' ' LYS . 98.5 mt-10 -62.6 -39.65 94.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.173 177.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -68.96 -38.12 79.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.3 -41.33 98.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.39 -49.82 76.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.23 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -53.4 -50.08 65.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.197 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.73 -45.09 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 58.1 tp -57.53 -47.43 82.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.207 -177.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.79 -42.35 93.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.4 -38.37 87.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.74 -50.03 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.25 -41.16 97.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.174 -175.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.96 -42.34 76.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -138.07 80.61 28.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -54.29 135.52 65.46 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.741 1.628 . . . . 0.0 111.208 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -163.2 156.18 19.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.43 -38.39 77.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.202 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.2 -52.41 65.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -67.07 -34.13 76.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.261 -176.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.62 -48.98 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.27 -44.18 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.215 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.68 -37.87 89.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.07 -49.22 78.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.82 -44.66 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -53.17 -54.55 34.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.59 82.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.37 -47.22 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.86 -43.64 96.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.17 -41.88 98.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -63.03 -43.59 98.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -59.1 -41.58 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.241 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.0 91.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.228 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -64.75 -41.53 95.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.55 -50.54 79.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.251 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 79.4 t -63.91 -42.76 96.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.218 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -59.23 -48.18 82.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.46 93.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 67.9 mt -61.19 -41.3 89.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -47.69 -52.43 18.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.258 173.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.66 -38.68 85.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 91.2 mt -64.73 -44.29 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.88 -42.65 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.27 -41.22 96.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.221 177.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.09 -48.61 79.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 172.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.33 -38.24 83.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.23 95.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.172 177.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -64.56 -37.59 88.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.264 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . 0.44 HG23 HD21 ' B' ' 64' ' ' ASN . 79.7 mt -62.29 -43.42 98.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 178.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.2 -44.36 98.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.09 -36.94 85.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.252 177.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.63 -43.91 95.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.218 175.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' ASN . . . . . 0.449 HD21 HG23 ' A' ' 60' ' ' ILE . 93.5 m-20 -56.35 -45.91 80.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 176.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -55.61 -50.91 68.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.01 -39.55 82.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.92 -46.97 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.14 -43.05 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.62 -43.64 98.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.29 94.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.227 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.49 -49.62 76.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.39 -41.51 89.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.34 -36.22 73.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 -175.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 pt -101.9 5.85 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.21 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.22 -118.4 1.99 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -173.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.43 -177.21 45.25 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.66 126.58 9.93 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 60.9 p -134.29 162.29 32.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.125 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . 0.408 ' NZ ' ' OE2' ' C' ' 83' ' ' GLU . 65.3 tttm -55.49 -44.83 76.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.27 172.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.47 -42.52 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.76 -49.09 66.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -56.11 -46.98 78.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . 0.408 ' OE2' ' NZ ' ' C' ' 79' ' ' LYS . 97.8 mt-10 -62.33 -39.75 94.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.208 -178.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 72.3 mtm -64.2 -41.25 97.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -178.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.88 -33.45 75.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.259 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.6 -39.49 88.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.17 172.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.16 -35.55 81.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.41 -39.35 79.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.212 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.56 -44.28 96.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.52 -42.06 96.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.5 -39.26 93.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -72.07 -45.5 60.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 -179.067 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.74 0.305 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -76.09 -9.37 58.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.219 -174.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.73 -11.93 52.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.203 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.48 ' NZ ' ' OE2' ' A' ' 14' ' ' GLU . 65.3 tttm -67.66 -49.97 60.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -170.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -58.27 -33.67 69.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -174.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.8 m -66.04 -40.3 90.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.99 -39.31 94.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.312 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.48 ' OE2' ' NZ ' ' A' ' 10' ' ' LYS . 99.0 mt-10 -62.66 -43.09 99.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.247 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.79 -40.5 92.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 176.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.0 -44.12 96.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.223 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -56.59 -48.58 77.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.224 176.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.8 -44.81 70.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.212 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.62 -44.41 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.81 -48.3 75.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.26 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.32 -41.67 89.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -64.38 -39.23 93.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.93 -50.09 74.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.186 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.33 -40.94 94.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 -175.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.12 -39.06 92.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -146.41 84.11 8.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -55.2 135.43 68.9 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.691 1.594 . . . . 0.0 111.196 -178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.5 p -162.48 156.85 21.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.172 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.17 -38.12 76.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.237 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.6 -52.51 65.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -67.22 -33.03 74.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.258 -175.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.83 -49.02 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.203 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.9 t -65.21 -43.24 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -64.79 -38.71 91.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.6 -48.21 81.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 174.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.54 -45.93 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.253 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -54.76 -51.3 66.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.181 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.21 89.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.244 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.7 mt -61.9 -43.24 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.93 -43.1 95.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.3 -39.0 88.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -65.25 -47.5 76.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -56.05 -42.57 76.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.46 77.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.19 -38.15 89.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.232 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.47 -47.86 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.7 t -62.14 -44.39 98.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.99 -40.6 89.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.214 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.6 94.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.5 mt -62.55 -42.99 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -59.52 -38.36 80.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.82 -54.72 23.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.3 pt -70.56 -28.9 36.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -167.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.28 -34.51 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.207 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -69.61 -36.37 76.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 173.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.83 -38.55 91.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.176 173.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.5 -40.9 93.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 176.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.5 -39.36 87.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.248 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.24 -38.43 90.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.186 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.1 mt -61.8 -43.74 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.3 t -60.59 -44.51 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.26 175.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -61.74 -40.02 93.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.01 -42.76 99.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.1 -40.76 94.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -59.62 -44.45 93.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.285 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.65 89.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.206 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.54 -46.76 95.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.87 -45.18 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.233 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.8 -41.44 67.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.13 97.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.183 174.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.75 -31.93 72.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -57.5 -27.46 62.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.94 -32.19 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.454 ' C ' HD12 ' A' ' 74' ' ' ILE . 2.9 pp -121.51 -3.31 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -175.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.46 -24.36 7.51 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.22 144.92 48.7 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -174.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.92 -13.31 66.3 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 54.7 p -123.02 173.8 7.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.214 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -59.38 -32.8 70.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 -169.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 17.3 tt -56.54 -25.32 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.56 -45.33 94.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.44 -37.83 88.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -176.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -65.46 -39.85 92.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.99 -36.59 80.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.38 -42.17 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.253 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -64.02 -39.62 94.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.218 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -63.97 -39.08 93.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.23 -40.56 90.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.206 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.16 -43.49 95.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -62.19 -40.87 97.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.18 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.0 mt -61.73 -46.33 90.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.76 -39.65 81.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 177.912 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.748 0.308 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -76.08 -9.4 58.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 -174.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.2 mt -85.77 -11.9 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 174.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.475 ' NZ ' ' OE2' ' B' ' 14' ' ' GLU . 65.3 tttm -67.71 -49.94 60.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.21 -170.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -58.18 -33.79 69.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -174.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 73.6 m -66.03 -40.21 90.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.06 -39.27 94.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.256 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.475 ' OE2' ' NZ ' ' B' ' 10' ' ' LYS . 99.0 mt-10 -62.71 -43.08 99.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.79 -40.47 91.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 176.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 46.8 tp -63.04 -44.07 96.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -56.56 -48.66 76.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.79 -44.69 70.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.267 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.66 -44.43 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 59.0 tp -55.79 -48.33 75.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.27 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.28 -41.72 89.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.183 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -64.28 -39.32 93.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.288 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.92 -50.07 74.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.196 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.41 -40.91 93.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.06 -39.08 92.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.253 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -146.43 84.15 7.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -55.22 135.43 68.9 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.647 1.565 . . . . 0.0 111.235 -178.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 94.1 p -162.43 156.89 21.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.27 -38.14 76.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.62 -52.43 65.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -67.33 -32.93 74.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.24 -175.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.86 -48.95 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 64.9 t -65.27 -43.26 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -64.77 -38.77 92.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.25 81.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.165 174.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.44 -45.95 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.268 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -54.84 -51.29 66.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.15 89.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.231 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.88 -43.27 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.9 -43.07 94.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.28 -39.03 88.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.213 176.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -65.22 -47.55 76.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 177.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -56.02 -42.6 76.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.214 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.22 -49.43 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -65.18 -38.17 89.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.48 -47.82 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 50.0 t -62.17 -44.32 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.271 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.99 -40.64 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.55 94.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.211 175.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.61 -42.94 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.202 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -59.54 -38.32 80.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.213 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.81 -54.76 22.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 31.2 pt -70.42 -28.99 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 -167.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.23 -34.5 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.235 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -69.56 -36.47 76.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 173.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.71 -38.6 91.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.257 173.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.44 -40.85 92.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.3 87.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.314 175.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.24 -38.45 90.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.23 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 85.2 mt -61.84 -43.68 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 56.6 t -60.63 -44.5 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.19 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.73 -40.0 93.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.26 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.0 -42.81 99.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.08 -40.8 95.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -59.64 -44.38 93.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.306 175.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.61 89.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.63 -46.63 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.88 -45.15 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.278 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.78 -41.5 67.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 178.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.19 97.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.203 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.74 -31.94 72.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.181 -176.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -57.57 -27.45 62.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.2 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.459 ' C ' HD12 ' B' ' 74' ' ' ILE . 2.9 pp -121.48 -3.31 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -175.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.52 -24.35 7.48 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.18 144.86 48.68 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -174.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.92 -13.23 66.43 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 55.2 p -123.03 173.89 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.769 0.319 . . . . 0.0 111.231 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -59.43 -32.88 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.225 -169.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 17.3 tt -56.44 -25.35 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.256 -176.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.51 -45.37 94.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.22 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.44 -37.87 88.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 -176.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -65.34 -39.79 92.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.254 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.98 -36.66 80.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.36 -42.18 90.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -64.05 -39.65 94.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -63.88 -39.14 93.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.26 -40.6 90.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.97 -43.62 95.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 177.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.24 -40.82 97.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 61.5 mt -61.69 -46.31 90.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.82 -39.65 81.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.234 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 177.852 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.822 0.344 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -75.96 -9.53 58.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.253 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.65 -11.94 52.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.23 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' LYS . . . . . 0.487 ' NZ ' ' OE2' ' C' ' 14' ' ' GLU . 65.3 tttm -67.63 -50.01 60.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 -170.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -58.25 -33.69 69.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -174.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 73.5 m -66.11 -40.19 90.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.174 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.17 -39.2 93.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . 0.487 ' OE2' ' NZ ' ' C' ' 10' ' ' LYS . 99.0 mt-10 -62.68 -43.11 99.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.197 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.77 -40.57 92.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 176.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 46.9 tp -63.0 -44.11 96.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.213 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -56.6 -48.59 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.75 -44.82 70.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.258 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.53 -44.47 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.237 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.77 -48.33 75.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.272 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.32 -41.62 89.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -64.42 -39.2 93.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.252 176.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.0 -50.07 74.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.3 -40.94 94.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.196 -175.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.1 -39.04 92.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.263 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -146.46 84.16 7.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -55.21 135.33 68.47 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.745 1.63 . . . . 0.0 111.191 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 93.8 p -162.43 156.88 21.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.25 -38.15 76.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.63 -52.47 65.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -67.28 -32.96 74.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.268 -175.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 79.2 mt -62.8 -48.99 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.3 -43.23 95.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -64.74 -38.69 91.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.224 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.77 -48.06 82.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 174.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.61 -45.86 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.23 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -54.91 -51.16 66.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.17 90.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.261 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.91 -43.23 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 72.8 t -60.88 -43.11 94.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.29 -39.06 89.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -65.15 -47.55 76.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.246 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -55.97 -42.55 76.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.285 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.4 77.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.232 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.21 -38.14 89.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.238 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.46 -47.79 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.269 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 50.0 t -62.19 -44.39 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.97 -40.61 89.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.173 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.53 94.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.25 175.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 84.5 mt -62.6 -42.93 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.221 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -59.58 -38.28 80.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.85 -54.71 23.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.201 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 31.1 pt -70.56 -28.9 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -167.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.31 -34.52 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.239 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -69.53 -36.43 76.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 173.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.81 -38.55 91.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.176 173.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.49 -40.9 92.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.25 87.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.266 175.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.27 -38.49 90.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.198 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 85.3 mt -61.73 -43.71 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.208 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.66 -44.39 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.268 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.85 -40.02 93.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -62.99 -42.75 99.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -61.09 -40.81 95.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 176.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -59.66 -44.43 93.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.234 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.66 89.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.52 -46.74 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.87 -45.2 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.262 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.73 -41.41 67.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.179 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.85 -42.24 97.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.69 -31.92 72.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -57.61 -27.4 62.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.87 -32.26 70.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.206 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . 0.459 ' C ' HD12 ' C' ' 74' ' ' ILE . 2.9 pp -121.5 -3.31 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -175.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.51 -24.34 7.49 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.28 144.9 48.74 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -174.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.94 -13.36 66.22 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 55.6 p -122.99 173.88 7.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.752 0.311 . . . . 0.0 111.234 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -59.46 -32.71 70.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.22 -169.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 17.3 tt -56.61 -25.27 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.227 -176.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.55 -45.35 94.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.44 -37.9 89.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.215 -176.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -65.35 -39.86 92.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.94 -36.59 80.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.4 -42.23 91.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -64.03 -39.65 94.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.212 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.91 -39.18 93.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.14 -40.62 90.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.196 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.04 -43.57 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.24 -40.85 97.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 61.4 mt -61.64 -46.34 90.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.231 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.76 -39.7 81.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 177.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.77 0.319 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -66.3 -35.28 79.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.2 tp -55.43 -49.88 71.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.287 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.409 ' NZ ' ' OE2' ' A' ' 14' ' ' GLU . 65.5 tttm -54.57 -49.1 71.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.176 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -59.27 -41.78 89.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 -178.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -63.33 -41.52 98.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.23 -30.07 63.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.409 ' OE2' ' NZ ' ' A' ' 10' ' ' LYS . 97.1 mt-10 -62.18 -41.19 98.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 170.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -70.43 -34.59 72.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.225 175.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 tp -55.06 -45.15 75.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -59.95 -45.97 90.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.21 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.88 -45.13 86.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.255 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.12 -47.28 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.2 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.0 tp -54.44 -54.25 43.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 176.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.7 -37.91 80.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -173.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -67.84 -43.38 79.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.44 -29.22 63.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 -175.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -63.0 -19.41 64.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.276 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.53 -25.31 67.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -153.48 83.89 4.4 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -74.42 61.1 5.1 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.696 1.598 . . . . 0.0 111.233 -171.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -77.25 165.16 24.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.231 170.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.25 -39.31 66.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.84 -49.41 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.429 ' OE1' ' HA ' ' A' ' 31' ' ' GLN . 9.2 mm100 -70.16 -35.46 74.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.154 -175.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.3 mt -65.74 -51.32 63.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 -178.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.6 p -66.68 -27.46 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -62.79 -42.62 99.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.231 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.42 86.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.95 -44.66 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -52.46 -48.83 65.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.41 -40.04 81.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.207 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.3 mt -65.46 -46.64 89.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.88 -45.32 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.202 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.83 -37.92 87.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -69.25 -32.64 71.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.187 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -61.88 -36.6 81.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.7 -36.17 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -67.93 -33.91 75.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.198 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.93 -51.99 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.51 -29.85 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.239 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -63.4 -43.23 98.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.209 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.78 -49.05 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 173.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.0 mt -56.84 -44.52 82.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.235 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -50.34 -50.45 51.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.202 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.15 82.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.25 -43.36 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.267 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.91 -44.34 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -64.61 -39.21 93.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.22 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.91 -40.79 98.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 175.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.66 -38.0 83.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.214 176.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.64 87.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.215 176.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.68 -38.4 89.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.36 -42.58 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.192 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.37 -44.25 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 76.0 mm-40 -64.68 -36.88 85.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 177.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.39 -45.63 92.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 174.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.6 -41.6 86.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -57.43 -53.22 60.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 174.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.38 83.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.238 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.59 -47.81 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.253 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.5 -45.13 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -62.42 -46.35 88.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.265 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.03 93.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.0 tp -60.68 -46.99 88.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.167 -176.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.07 -43.0 99.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 174.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.34 -38.47 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.227 -172.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.509 ' C ' HD12 ' A' ' 74' ' ' ILE . 2.7 pp -96.35 3.53 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -174.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.6 -137.56 4.06 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.46 -165.97 10.88 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.53 143.56 35.69 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.515 HG22 ' H ' ' A' ' 80' ' ' ILE . 40.5 m -154.18 136.24 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 111.129 176.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.473 ' NZ ' ' OE2' ' A' ' 83' ' ' GLU . 64.9 tttm -52.07 -41.24 62.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.225 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.515 ' H ' HG22 ' A' ' 78' ' ' THR . 96.3 mt -61.15 -39.59 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.218 -176.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.1 mt -55.73 -46.1 77.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.74 -37.35 84.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.204 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.473 ' OE2' ' NZ ' ' A' ' 79' ' ' LYS . 98.7 mt-10 -63.54 -40.25 96.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 177.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 73.9 mtm -66.13 -37.01 84.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.21 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -61.36 -37.46 83.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -67.22 -52.85 36.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.231 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.99 -36.08 82.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.8 tp -56.2 -51.96 66.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.4 -45.13 94.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.185 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -64.04 -37.27 86.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.69 -46.64 87.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.231 172.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.438 ' NZ ' ' OE2' ' A' ' 62' ' ' GLU . 60.2 tttp -56.57 -34.34 67.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 -177.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.237 -178.857 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.789 0.328 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.27 -35.24 79.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 43.9 tp -55.52 -49.97 71.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 174.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.449 ' NZ ' ' OE2' ' B' ' 14' ' ' GLU . 65.5 tttm -54.45 -49.11 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -59.29 -41.8 89.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -63.38 -41.4 98.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.209 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 88.4 mt -73.26 -29.99 63.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.22 -176.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.449 ' OE2' ' NZ ' ' B' ' 10' ' ' LYS . 97.1 mt-10 -62.21 -41.16 98.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.181 170.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.4 mmt180 -70.51 -34.57 72.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 175.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 tp -55.14 -45.12 75.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -59.91 -46.05 90.59 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.79 -45.23 86.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.252 175.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.01 -47.37 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 tp -54.39 -54.28 42.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.67 -37.93 80.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -67.82 -43.37 79.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.43 -29.26 63.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -175.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -63.01 -19.4 64.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.234 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.61 -25.22 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.205 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -153.46 83.86 4.41 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 178.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -74.4 61.08 5.08 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.705 1.604 . . . . 0.0 111.242 -171.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 82.9 p -77.16 165.08 25.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.245 170.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.25 -39.19 66.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.31 178.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.85 -49.47 72.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.422 ' HA ' ' OE1' ' B' ' 31' ' ' GLN . 9.2 mm100 -70.06 -35.57 74.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.173 -175.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 84.4 mt -65.65 -51.31 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.271 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.68 -27.46 40.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -177.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -62.91 -42.58 99.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 175.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.4 86.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 175.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.96 -44.62 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -52.61 -48.7 66.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.48 -40.04 81.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.4 -46.69 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -58.86 -45.29 91.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.24 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.8 -37.98 87.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -69.22 -32.73 72.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -61.81 -36.55 81.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.275 176.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.13 78.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.199 173.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -67.92 -34.03 75.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.82 -51.99 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.58 -29.81 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.233 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -63.37 -43.28 98.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 174.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 -49.05 76.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.186 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 87.7 mt -56.92 -44.41 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -50.43 -50.45 52.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.222 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.04 82.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.236 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.33 -43.37 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.228 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 56.6 t -60.89 -44.31 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -64.68 -39.27 93.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.207 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.81 -40.75 98.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 175.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.8 -37.9 83.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.6 87.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.24 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.71 -38.37 89.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 177.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.39 -42.53 96.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.255 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.37 -44.34 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.455 ' OE2' ' NZ ' ' B' ' 92' ' ' LYS . 76.1 mm-40 -64.6 -36.83 85.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.274 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.46 -45.48 92.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 174.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -58.8 -41.51 86.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -57.4 -53.21 60.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.168 174.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.42 83.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.56 -47.84 91.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.47 -45.06 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.234 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.49 -46.39 88.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.253 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.03 93.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.7 tp -60.59 -47.05 87.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.265 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.04 -42.95 99.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 173.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.55 80.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -172.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.5 ' C ' HD12 ' B' ' 74' ' ' ILE . 2.7 pp -96.32 3.5 9.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 -174.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.6 -137.59 4.06 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -177.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.43 -165.98 10.89 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.45 143.54 35.78 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.515 HG22 ' H ' ' B' ' 80' ' ' ILE . 40.4 m -154.17 136.18 14.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 111.162 176.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . 0.487 ' NZ ' ' OE2' ' B' ' 83' ' ' GLU . 64.9 tttm -51.94 -41.31 61.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.264 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . 0.515 ' H ' HG22 ' B' ' 78' ' ' THR . 96.3 mt -61.18 -39.57 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.272 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 45.4 mt -55.67 -46.16 77.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -66.65 -37.42 84.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.487 ' OE2' ' NZ ' ' B' ' 79' ' ' LYS . 98.7 mt-10 -63.49 -40.28 96.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.292 176.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 74.0 mtm -66.11 -36.99 84.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.254 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.35 -37.48 83.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.159 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -67.17 -53.04 34.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.89 -35.95 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.23 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 45.6 tp -56.36 -51.95 66.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.217 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.22 -45.27 94.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -64.03 -37.19 86.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.215 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.82 -46.66 86.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.07 172.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.455 ' NZ ' ' OE2' ' B' ' 62' ' ' GLU . 60.2 tttp -56.48 -34.47 66.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -177.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 -178.785 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.781 0.324 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.25 -35.24 79.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 44.2 tp -55.5 -49.93 71.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 174.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' LYS . . . . . 0.448 ' NZ ' ' OE2' ' C' ' 14' ' ' GLU . 65.6 tttm -54.64 -49.01 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -59.35 -41.73 89.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 68.8 m -63.39 -41.44 98.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.141 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.32 -30.03 63.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . 0.448 ' OE2' ' NZ ' ' C' ' 10' ' ' LYS . 97.1 mt-10 -62.1 -41.26 98.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 170.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -70.39 -34.62 72.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.231 175.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 66.2 tp -55.11 -45.04 75.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -60.02 -45.97 91.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.86 -45.23 86.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.257 175.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.91 -47.39 89.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.265 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 52.8 tp -54.37 -54.26 42.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.272 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.69 -37.93 80.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.206 -173.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -67.83 -43.36 79.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.43 -29.27 63.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -175.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -63.07 -19.35 64.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.61 -25.2 67.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -153.51 83.84 4.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -74.4 61.07 5.07 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.743 1.629 . . . . 0.0 111.232 -171.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 82.9 p -77.21 165.12 24.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 170.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.19 -39.27 66.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.285 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.87 -49.45 72.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.198 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' C' ' 31' ' ' GLN . 9.2 mm100 -70.18 -35.38 73.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.199 -175.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.74 -51.38 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.62 -27.45 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -62.9 -42.63 99.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.194 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.37 86.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 175.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.05 -44.64 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -52.49 -48.78 65.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.05 81.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.243 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 89.4 mt -65.41 -46.68 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.168 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.8 -45.39 91.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.243 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.75 -37.94 87.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -69.3 -32.68 71.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -61.89 -36.5 81.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.71 -36.21 78.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 173.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -67.91 -33.94 75.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.218 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.89 -52.05 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.217 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -66.56 -29.83 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.4 -43.21 98.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.219 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.98 76.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 87.9 mt -56.89 -44.49 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -50.29 -50.52 50.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.71 -40.08 82.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.29 -43.32 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.275 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.88 -44.38 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -64.59 -39.26 93.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.83 -40.76 98.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 175.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.67 -37.97 83.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.278 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.54 87.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.219 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.76 -38.34 88.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.211 177.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.45 -42.54 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.37 -44.23 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.219 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . 0.439 ' OE2' ' NZ ' ' C' ' 92' ' ' LYS . 76.1 mm-40 -64.65 -36.97 85.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 177.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -62.33 -45.6 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 174.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.69 -41.54 86.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.246 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -57.34 -53.24 60.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.39 -38.4 83.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -177.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 86.3 mt -62.53 -47.88 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.46 -45.11 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.192 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.41 -46.43 88.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.233 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.1 93.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 42.7 tp -60.57 -47.01 88.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.307 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.01 -42.96 99.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 173.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.37 -38.49 80.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -172.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . 0.505 ' C ' HD12 ' C' ' 74' ' ' ILE . 2.7 pp -96.34 3.46 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 -174.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.61 -137.59 4.06 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.4 -165.86 10.86 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.55 143.55 35.64 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.508 HG22 ' H ' ' C' ' 80' ' ' ILE . 40.8 m -154.2 136.15 14.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.173 176.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . 0.461 ' NZ ' ' OE2' ' C' ' 83' ' ' GLU . 64.9 tttm -51.9 -41.38 61.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 80' ' ' ILE . . . . . 0.508 ' H ' HG22 ' C' ' 78' ' ' THR . 96.3 mt -61.06 -39.64 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.266 -176.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 45.1 mt -55.68 -46.12 77.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.68 -37.41 84.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . 0.461 ' OE2' ' NZ ' ' C' ' 79' ' ' LYS . 98.7 mt-10 -63.55 -40.21 96.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.236 177.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 74.0 mtm -66.17 -37.01 84.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -61.4 -37.41 83.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -67.23 -52.97 34.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 175.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.82 -36.06 81.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.202 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 45.9 tp -56.26 -51.99 66.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 177.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.3 -45.18 94.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.97 -37.37 87.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.211 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.73 -46.56 87.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 172.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . 0.439 ' NZ ' ' OE2' ' C' ' 62' ' ' GLU . 60.2 tttp -56.64 -34.37 67.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -177.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 -178.817 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 120.877 0.37 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -73.83 -40.75 63.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.3 mt -64.43 -40.77 96.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.264 172.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -59.43 -49.7 76.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.176 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -60.15 -39.65 87.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.304 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.4 m -62.44 -41.53 98.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.93 -40.12 96.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.69 -39.21 93.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -64.2 -41.68 96.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.191 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.51 -41.71 94.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.235 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -59.99 -47.82 84.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.166 175.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -52.68 -50.01 64.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.1 mm -70.91 -40.07 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.5 tp -56.5 -47.59 78.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.189 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.83 -40.71 89.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.236 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.26 -40.12 92.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.259 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.4 mt -65.37 -41.16 94.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.78 -36.8 79.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -81.16 -48.27 12.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -139.1 83.62 17.78 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 -173.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.88 141.54 85.39 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.66 1.574 . . . . 0.0 111.231 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.4 t -167.33 145.91 4.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.303 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.3 -32.32 64.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.75 -48.69 79.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -75.6 -31.1 59.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.7 mt -61.97 -47.4 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.25 -40.83 90.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.165 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -61.0 -40.36 93.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 175.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.92 88.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.258 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -60.24 -45.25 96.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -49.86 -54.64 18.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.186 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.73 83.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 86.2 mt -65.0 -47.66 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.71 -44.32 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.186 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.39 -40.56 96.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 177.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -63.01 -44.72 95.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.27 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -59.9 -40.92 90.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.91 -41.2 86.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -64.7 -42.89 94.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.5 mt -63.21 -48.47 87.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.233 -176.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.41 -48.62 84.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.284 -175.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -69.84 -37.35 76.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.243 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.56 85.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.157 177.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.68 -44.23 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.183 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -56.08 -41.12 74.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.76 -36.06 69.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.9 -40.56 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.159 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.8 -40.09 85.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -62.2 -38.66 89.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 174.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.89 -38.05 89.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.261 175.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.58 -38.17 86.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.65 89.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.186 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.23 -39.66 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.0 mt -62.86 -41.68 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.249 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.6 t -56.79 -50.25 75.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.241 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.75 -35.36 79.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.149 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.37 -50.61 69.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 174.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -59.28 -38.99 81.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.201 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.29 -53.56 55.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.256 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.71 -37.2 78.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 94.2 mt -65.48 -48.03 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.196 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.59 -44.0 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.231 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.52 -44.33 96.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.34 93.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.468 ' C ' HD23 ' A' ' 71' ' ' LEU . 7.4 tt -59.73 -49.78 76.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.2 -43.85 78.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.26 177.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.61 69.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 pt -106.38 10.92 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.244 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.17 -177.49 50.8 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -168.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.67 -88.71 1.32 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.85 -173.95 48.97 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.5 p -125.28 20.1 8.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.752 0.311 . . . . 0.0 111.219 -174.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.2 -51.53 8.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 -167.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.1 pt -120.66 24.08 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 tp -64.0 -47.98 78.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.8 -35.83 79.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.195 178.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.93 -44.63 96.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 76.8 mtm -62.18 -41.86 98.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.271 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -68.43 -42.52 78.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.62 -50.1 73.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.285 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.1 -38.25 82.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.41 -50.31 74.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.249 175.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.4 -42.0 93.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.1 -42.42 94.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.8 -45.26 87.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -59.4 -42.77 92.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 178.403 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 120.873 0.368 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -73.65 -40.79 63.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.243 -176.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.48 -40.8 96.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 172.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -59.38 -49.69 76.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.191 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -60.15 -39.67 87.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.234 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -62.45 -41.55 98.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.188 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.92 -40.1 96.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.63 -39.22 93.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.241 177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -64.21 -41.68 96.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.227 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 63.6 mt -60.51 -41.7 94.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.236 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.06 -47.75 84.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -52.65 -50.02 64.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.251 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 48.1 mm -70.99 -39.97 75.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 tp -56.63 -47.52 79.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.77 -40.79 89.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.279 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.22 -40.11 92.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.278 176.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.3 mt -65.38 -41.09 94.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.296 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.8 -36.81 79.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -81.18 -48.14 12.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.271 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -139.2 83.58 17.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 -173.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -55.88 141.55 85.42 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.601 1.534 . . . . 0.0 111.244 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 31.4 t -167.27 145.9 4.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.317 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.38 -32.23 64.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.83 -48.64 79.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -75.6 -31.15 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 -178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.0 mt -61.95 -47.4 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.23 -40.88 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.168 177.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.9 -40.39 92.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.225 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.71 -46.88 88.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.312 175.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -60.34 -45.19 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.191 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -49.86 -54.64 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.89 83.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.24 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.0 -47.69 87.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.123 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.69 -44.31 98.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.33 -40.6 96.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -63.05 -44.64 95.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.336 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -59.96 -40.86 90.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.286 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.27 86.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -64.75 -42.8 94.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 81.4 mt -63.29 -48.56 86.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.188 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 42.3 t -58.31 -48.59 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.285 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -69.87 -37.37 76.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 -177.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.49 85.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 177.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.59 -44.33 89.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.226 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -56.03 -41.12 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.77 -36.06 69.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.83 -40.67 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.126 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.73 -40.13 85.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.099 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.13 -38.68 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.098 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.92 -38.08 89.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -61.49 -38.2 86.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.221 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.73 89.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.229 176.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -64.18 -39.67 94.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 84.9 mt -62.89 -41.7 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 43.3 t -56.8 -50.23 75.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.256 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -66.78 -35.26 79.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.43 -50.74 68.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 174.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -59.16 -39.05 81.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.178 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.23 -53.56 55.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.71 -37.18 78.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.231 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.49 -47.99 84.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.25 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.55 -44.06 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.66 -44.19 96.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.84 -45.43 92.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.466 ' C ' HD23 ' B' ' 71' ' ' LEU . 7.4 tt -59.58 -49.82 76.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.305 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.21 -43.72 78.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.321 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.54 -33.61 70.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -177.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 pt -106.35 10.83 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.186 -177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.15 -177.58 50.83 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -168.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.58 -88.76 1.33 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.78 -173.9 48.85 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 174.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 70.7 p -125.37 20.12 8.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.347 . . . . 0.0 111.254 -174.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.17 -51.47 8.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.241 -167.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 44.0 pt -120.75 24.11 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.215 -176.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 60.5 tp -63.99 -47.96 78.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.88 -35.74 79.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.199 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.96 -44.65 97.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.285 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 76.9 mtm -62.05 -42.0 98.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.322 177.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -68.24 -42.56 79.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.285 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.7 -50.07 73.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.288 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.0 -38.29 82.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.21 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.43 -50.34 74.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.23 175.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.41 -41.98 93.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 -177.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.99 -42.53 94.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 60.6 tp -64.73 -45.2 87.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -59.51 -42.67 92.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 178.374 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.745 0.307 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -73.75 -40.74 63.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.189 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.49 -40.81 96.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.237 172.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -59.36 -49.63 77.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.259 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -60.16 -39.68 87.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.27 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.5 m -62.53 -41.42 98.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.99 -40.15 96.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.64 -39.2 93.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.216 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -64.17 -41.72 97.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.244 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.43 -41.72 94.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.301 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.05 -47.75 84.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 175.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -52.74 -49.98 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.123 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 48.2 mm -70.97 -39.96 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 -176.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 53.3 tp -56.59 -47.55 79.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.78 -40.81 89.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.194 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.15 -40.16 92.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.309 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 mt -65.35 -41.16 94.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.78 -36.77 79.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.186 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -81.19 -48.14 12.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.279 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -139.18 83.54 17.72 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 -173.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -55.92 141.59 85.68 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.626 1.55 . . . . 0.0 111.272 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 31.4 t -167.36 145.93 4.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.28 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.44 -32.25 64.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.76 -48.64 79.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -75.64 -31.13 59.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.95 -47.37 93.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.27 -40.86 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.159 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -61.01 -40.31 93.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.88 88.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.269 175.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.32 -45.18 96.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -49.93 -54.63 18.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.84 83.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.244 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 86.0 mt -65.04 -47.76 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.52 -44.39 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.34 -40.59 96.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 177.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -62.94 -44.76 95.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.336 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -59.96 -40.86 90.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.256 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.31 86.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -64.71 -42.78 95.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.11 176.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 81.4 mt -63.3 -48.55 86.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.13 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.39 -48.61 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 -175.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -69.81 -37.38 76.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.37 -47.57 85.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.183 177.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 79.2 mt -58.53 -44.4 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.19 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -55.97 -41.06 74.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.209 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.87 -35.96 69.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.93 -40.66 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 70.8 t -61.68 -40.19 85.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.095 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.12 -38.63 89.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.134 174.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.95 -38.01 89.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.245 176.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -61.52 -38.21 86.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.73 89.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.26 -39.55 94.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 175.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.93 -41.73 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 43.6 t -56.68 -50.3 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.264 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.77 -35.29 79.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.43 -50.64 68.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.276 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -59.17 -39.01 81.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.26 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.23 -53.65 54.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.205 176.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.67 -37.2 78.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.168 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 94.1 mt -65.46 -48.03 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.59 -44.03 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.58 -44.23 96.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.255 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.31 93.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . 0.468 ' C ' HD23 ' C' ' 71' ' ' LEU . 7.4 tt -59.74 -49.8 76.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 -178.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.18 -43.79 78.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.287 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.55 -33.56 70.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 pt -106.35 10.82 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.166 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.2 -177.56 50.78 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -168.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.6 -88.71 1.32 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.84 -173.95 48.96 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 174.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 69.5 p -125.31 20.12 8.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.863 0.363 . . . . 0.0 111.256 -174.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.24 -51.48 8.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -167.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 44.0 pt -120.73 24.2 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.233 -176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 60.2 tp -64.02 -47.98 78.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.88 -35.71 79.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.06 -44.58 97.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.257 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 76.8 mtm -62.16 -41.92 98.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.248 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -68.31 -42.53 79.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.252 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.71 -50.08 73.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.236 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.05 -38.22 82.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.198 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.48 -50.37 74.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 175.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.28 -42.07 93.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.01 -42.44 94.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.212 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.78 -45.23 87.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -59.49 -42.73 92.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 178.355 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.843 0.354 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.4 -37.94 87.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.261 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.66 -42.73 95.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.242 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -65.28 -39.83 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -57.01 -47.96 79.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.182 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.7 m -60.54 -40.13 90.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.1 mt -62.06 -40.32 95.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.218 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.31 -37.43 87.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -64.03 -42.88 96.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.28 174.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.55 -39.04 92.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.211 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -57.26 -50.75 71.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -58.48 -43.43 88.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.75 -42.73 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.8 mt -59.29 -43.93 92.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.241 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.46 -43.9 96.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.208 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.52 -38.18 86.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.7 tp -64.43 -47.62 78.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.73 -42.01 78.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.245 -176.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.99 -41.63 86.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -137.45 79.14 36.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.211 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -54.56 134.89 64.28 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.718 1.612 . . . . 0.0 111.232 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.9 p -165.33 156.14 13.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.53 -37.55 75.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.184 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.61 -52.35 65.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.226 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -67.39 -35.27 78.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -177.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -63.35 -49.28 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.23 -45.58 95.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.31 -39.85 95.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.39 86.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 176.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.1 mt -61.69 -46.9 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.255 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.98 -47.15 83.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.249 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.29 83.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.09 -44.7 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.267 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.35 -42.65 94.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.267 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -58.64 -47.09 85.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.222 174.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -57.76 -43.81 85.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.236 176.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -60.19 -40.35 89.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.3 -41.48 89.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -65.37 -40.11 93.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.0 mt -62.23 -50.72 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.54 -45.81 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.258 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -64.07 -39.46 94.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.193 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.78 84.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.23 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.4 mt -57.45 -44.62 84.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -54.85 -46.06 74.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.53 76.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.92 -46.1 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 176.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.45 -46.76 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.195 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.91 -40.84 97.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.259 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -67.2 -37.28 83.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.211 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.53 -39.9 85.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.3 88.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -66.95 -38.1 85.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.281 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.9 mt -61.41 -43.43 96.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.18 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.73 -44.6 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.89 -40.3 94.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.248 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.73 -45.06 91.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -60.37 -38.36 83.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.18 -47.75 84.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.258 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.88 -38.09 84.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.88 -44.73 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.23 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.94 -43.23 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.245 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.62 -39.77 77.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.196 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.5 95.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.157 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.1 mt -58.55 -44.99 89.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 175.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -55.0 -46.56 75.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 175.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.2 -37.29 74.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.192 -175.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.2 pt -102.54 13.7 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 -173.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.5 -1.84 32.9 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.62 147.42 49.81 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -171.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.18 -24.57 27.51 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.7 p -131.04 169.96 15.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.717 0.294 . . . . 0.0 111.263 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -61.92 -29.5 70.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 -171.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 80' ' ' ILE . 10.3 tp -55.84 -23.13 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.24 -177.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.9 tp -51.83 -52.22 50.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 175.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.01 -40.39 65.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -172.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.1 -36.5 84.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -175.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 73.6 mtm -74.46 -39.93 62.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.33 -35.4 69.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.229 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.74 -26.68 62.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.68 -25.61 66.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.97 -35.3 79.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.26 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.42 -38.76 74.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.47 -39.51 77.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.238 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.3 tp -71.25 -38.57 71.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.68 -26.55 14.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.158 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -177.407 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.91 0.386 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.44 -37.91 87.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.217 176.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.69 -42.69 95.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.266 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -65.27 -39.82 93.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.222 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -57.09 -47.86 80.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 55.8 m -60.57 -40.17 90.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.03 -40.35 95.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.237 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -65.21 -37.6 87.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -63.92 -43.01 97.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.53 -38.91 91.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.254 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -57.43 -50.61 72.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 177.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -58.63 -43.35 89.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 87.6 mt -60.78 -42.72 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 63.7 mt -59.26 -44.0 92.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.44 -43.86 96.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.216 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.47 -38.25 86.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.41 -47.57 78.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -68.88 -41.96 77.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -176.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.93 -41.71 86.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.208 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -137.4 79.18 36.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.217 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -54.53 134.98 64.59 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.73 1.62 . . . . 0.0 111.172 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.2 p -165.43 156.12 13.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.61 -37.44 75.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.63 -52.33 65.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -67.48 -35.27 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.225 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.31 -49.33 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.26 -45.55 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.29 -39.98 96.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.37 86.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.246 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.72 -46.95 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.172 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.95 -47.25 83.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.156 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.25 -38.39 83.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.0 mt -64.06 -44.65 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.306 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.4 -42.68 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -58.63 -47.07 85.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.235 174.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -57.77 -43.84 85.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.14 -40.39 89.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.53 89.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -65.31 -40.16 93.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.16 -50.7 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.61 -45.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -175.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.9 -39.45 94.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.274 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.67 -46.72 84.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.204 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 90.1 mt -57.4 -44.72 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -54.77 -46.05 74.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.63 -39.52 77.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.93 -46.06 95.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.45 -46.83 92.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.216 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.86 -40.91 97.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.299 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -67.14 -37.27 83.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.228 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -59.57 -39.69 84.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.23 89.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.201 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -66.99 -38.17 85.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 79.1 mt -61.39 -43.45 96.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.206 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.71 -44.6 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 176.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -61.88 -40.33 95.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.281 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.61 -45.2 91.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 177.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.3 -38.4 83.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.17 -47.71 84.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.275 176.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.9 -38.03 84.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.219 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.88 -44.77 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.88 -43.27 96.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.24 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.68 -39.69 77.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.208 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.44 95.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.62 -45.04 90.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -54.98 -46.44 75.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.294 175.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.31 -37.2 74.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 -175.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 47.3 pt -102.68 13.76 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 -173.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.52 -1.87 32.84 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.61 147.34 49.82 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -171.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.26 -24.63 27.24 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 82.6 p -130.96 169.97 15.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 111.175 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -61.89 -29.56 70.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -171.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.87 -23.06 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 -177.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.8 tp -51.97 -52.14 52.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.08 -40.3 65.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.17 -172.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.19 -36.46 84.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -175.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 73.6 mtm -74.48 -39.93 62.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 175.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.35 -35.35 69.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.18 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.83 -26.62 62.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.73 -25.58 66.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.98 -35.31 79.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.4 -38.7 74.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -176.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -69.59 -39.44 77.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.243 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 54.0 tp -71.14 -38.68 72.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.7 -26.44 13.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 -174.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 -177.419 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.852 0.358 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.41 -37.95 87.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.252 176.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.71 -42.68 95.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.246 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -65.27 -39.78 93.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.275 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -57.2 -47.77 80.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 174.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 55.9 m -60.54 -40.23 90.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.99 -40.37 95.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -65.23 -37.52 87.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.194 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -64.02 -42.9 96.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.55 -38.98 92.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.234 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -57.36 -50.72 72.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -58.5 -43.36 89.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.79 -42.83 93.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 64.3 mt -59.19 -43.94 92.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.43 -43.93 96.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.42 -38.21 86.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.41 -47.53 78.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.87 -42.02 77.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.96 -41.64 86.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.41 79.13 36.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -54.58 134.96 64.71 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.706 1.604 . . . . 0.0 111.237 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -165.36 156.15 13.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.59 -37.5 75.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 174.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.63 -52.38 65.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -67.36 -35.36 79.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.27 -49.3 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.29 -45.63 95.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.22 -39.92 95.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.38 86.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.183 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.8 -47.0 95.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.89 -47.24 83.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.37 83.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.191 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.16 -44.7 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.231 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 79.6 t -61.28 -42.75 94.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.183 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -58.57 -47.21 85.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 174.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -57.67 -43.8 85.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.299 176.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.25 -40.3 89.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.53 89.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -65.33 -40.15 93.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 176.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.21 -50.67 79.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.64 -45.83 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -175.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -63.91 -39.47 94.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.278 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.77 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.184 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 90.3 mt -57.45 -44.66 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -54.8 -45.96 74.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.212 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.62 -39.59 77.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.85 -46.03 95.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.273 176.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.51 -46.82 92.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 -178.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.87 -40.88 97.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.297 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -67.16 -37.27 83.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.216 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -59.6 -39.75 85.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.19 88.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -67.08 -37.99 84.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.289 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 79.3 mt -61.42 -43.48 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.191 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.68 -44.68 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 176.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.82 -40.32 94.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.261 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.78 -45.07 91.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -60.29 -38.41 83.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.15 -47.78 84.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.222 176.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.9 -38.0 84.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.188 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.9 -44.71 98.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.05 -43.1 96.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.72 -39.7 77.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.195 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.42 95.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.66 -44.97 90.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -55.03 -46.51 75.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 175.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.23 -37.21 74.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.267 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 47.2 pt -102.64 13.73 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 -173.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.47 -1.9 32.96 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.57 147.37 49.75 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -171.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.16 -24.58 27.53 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 82.6 p -130.9 169.97 15.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.735 0.303 . . . . 0.0 111.246 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -61.86 -29.55 70.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 -171.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.89 -23.01 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.246 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 53.0 tp -51.9 -52.24 51.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 175.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.09 -40.25 65.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.198 -172.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.2 -36.43 84.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -175.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 73.5 mtm -74.47 -39.89 62.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.255 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.35 -35.38 69.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.185 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.76 -26.72 62.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.67 -25.54 66.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.11 -35.19 79.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.41 -38.79 74.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.51 -39.49 77.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.245 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 53.9 tp -71.18 -38.62 72.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.8 -26.46 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -174.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.27 -177.448 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 CA--C 1.523 -0.067 0 CA-C-O 120.847 0.355 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -63.8 -49.36 73.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 -173.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.4 mt -81.13 -30.2 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 -172.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.21 -44.99 88.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -53.26 -48.05 68.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.5 m -59.42 -41.28 89.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.0 mt -65.71 -38.4 89.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.241 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.06 -36.44 84.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -58.19 -47.35 83.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 173.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.6 -40.15 96.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -60.99 -57.18 13.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.92 -46.34 89.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 -176.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.23 -42.04 93.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.508 HD13 ' C ' ' A' ' 20' ' ' LEU . 3.2 tm? -63.96 -48.29 77.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.248 178.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -58.91 -44.46 91.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -62.72 -40.93 98.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.246 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.1 tp -59.97 -50.24 74.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.234 176.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.33 -41.61 98.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.296 -174.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.64 -41.07 93.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.93 79.5 32.86 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -57.03 142.95 94.08 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.649 1.566 . . . . 0.0 111.214 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -161.5 158.62 26.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.27 -25.0 67.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -75.15 -54.79 6.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.251 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -73.03 -30.51 63.8 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.073 -171.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 tp -62.91 -28.29 44.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.782 0.325 . . . . 0.0 111.196 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.5 t -83.2 -44.09 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 175.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.83 -39.44 89.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.8 -38.18 81.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.41 -44.85 71.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.259 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -54.66 -47.99 72.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.236 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.94 -38.93 76.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.242 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.3 mt -65.12 -43.95 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.87 -42.99 91.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.68 -42.8 97.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.125 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -65.64 -40.21 92.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.253 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.34 -39.23 86.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.16 -42.15 90.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -66.22 -42.43 88.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.9 mt -60.22 -51.6 71.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 50.7 t -64.16 -43.77 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -58.72 -43.78 90.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.58 96.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.5 mt -62.83 -45.14 99.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.244 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -55.08 -44.09 74.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 177.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.24 -46.17 88.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.3 mt -61.09 -45.55 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -176.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.91 -47.53 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -64.93 -38.9 92.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.242 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -64.01 -41.3 97.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.76 -39.25 93.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.302 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.98 86.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.76 -39.43 93.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 86.5 mt -63.2 -42.68 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.207 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.8 t -58.87 -43.95 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -61.22 -43.07 99.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.192 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.5 -43.56 96.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.209 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.37 -37.73 86.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -58.1 -48.54 79.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 174.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.79 -37.96 86.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.13 -44.14 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.76 -45.52 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.249 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.84 -40.5 76.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.207 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.71 -43.29 90.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.191 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.89 -42.77 99.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -61.16 -35.8 78.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.248 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.18 -58.97 4.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.6 pt -81.34 -12.91 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.183 -172.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.69 18.13 48.06 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.42 132.43 46.47 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.74 -13.66 63.68 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.1 p -82.93 169.19 16.3 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.364 0.602 . . . . 0.0 111.052 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -85.51 -24.16 27.43 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.251 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 33.5 pt -60.98 -14.63 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.11 -36.22 76.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 177.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.53 -36.41 83.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 -172.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.23 -42.53 17.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.237 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 65.1 mtm -63.66 -41.15 98.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.216 -173.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.65 -37.22 85.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.12 -46.67 70.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.11 -38.25 88.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.208 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.483 ' C ' HD23 ' A' ' 88' ' ' LEU . 8.8 tt -59.16 -50.21 74.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.258 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.18 -44.62 94.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -177.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.33 -39.1 74.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.22 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.99 -50.3 74.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.256 176.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.85 -45.87 71.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.209 -177.77 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.781 0.324 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -63.83 -49.32 73.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -173.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -81.17 -30.21 34.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -172.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.2 -45.01 88.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 174.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -53.13 -48.25 68.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.225 176.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 73.4 m -59.37 -41.26 88.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.251 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 72.2 mt -65.64 -38.43 89.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.225 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.1 -36.42 83.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -58.24 -47.26 84.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.252 173.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.62 -40.02 95.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -61.16 -57.08 13.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.145 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.94 -46.36 89.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.219 -176.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.12 -42.08 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.248 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.512 HD13 ' C ' ' B' ' 20' ' ' LEU . 3.2 tm? -64.03 -48.29 76.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.182 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -58.88 -44.38 91.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -62.8 -40.89 98.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.261 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.95 -50.27 74.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 176.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.37 -41.67 98.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.19 -174.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.65 -41.03 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.146 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.9 79.52 32.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.245 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -57.04 142.92 94.14 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.742 1.628 . . . . 0.0 111.142 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 93.1 p -161.48 158.61 26.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.28 -25.03 67.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -75.13 -54.84 6.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -72.95 -30.56 63.95 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.094 -171.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 tp -62.9 -28.31 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.791 0.329 . . . . 0.0 111.132 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 72.8 t -83.22 -44.1 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 175.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.77 -39.54 89.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.77 -38.15 81.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.2 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -71.43 -44.86 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -54.59 -48.01 72.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.245 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.03 -38.89 77.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 83.5 mt -65.16 -43.99 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.82 -43.01 90.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.62 -42.83 97.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.152 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -65.63 -40.25 92.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.33 -39.18 86.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.15 90.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -66.27 -42.33 88.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.3 -51.6 71.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.189 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 51.0 t -64.1 -43.9 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -177.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -58.56 -43.91 89.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.229 178.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.55 96.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.8 -45.22 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.25 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -55.06 -44.07 74.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.28 -46.18 87.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.15 -45.46 98.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -176.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.95 -47.54 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.19 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.04 -38.75 91.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.26 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -64.09 -41.2 97.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.272 176.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.78 -39.29 93.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.251 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.92 86.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.74 -39.49 93.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.11 -42.77 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.205 175.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 45.7 t -58.85 -43.99 89.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -61.28 -42.96 99.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.199 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -63.59 -43.49 96.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.221 176.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.32 -37.84 87.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.19 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -57.9 -48.66 79.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 174.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.97 86.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.12 -44.07 94.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.81 -45.54 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.198 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.75 -40.57 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.222 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.74 -43.24 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.221 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.94 -42.76 99.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.192 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -61.13 -35.84 78.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.23 -58.92 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.273 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 pt -81.28 -12.94 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.212 -172.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.63 18.1 48.33 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.37 132.39 46.27 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.73 -13.61 63.75 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 176.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 61.5 p -82.92 169.23 16.26 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 121.419 0.628 . . . . 0.0 111.03 -178.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -85.53 -24.21 27.38 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.208 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.4 pt -60.95 -14.6 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.241 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.14 -36.23 77.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.277 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.62 -36.24 83.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.188 -172.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.26 -42.53 17.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.278 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 65.2 mtm -63.73 -41.13 98.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -173.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.56 -37.31 85.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.07 -46.72 70.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 175.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.1 -38.18 87.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.476 HD23 ' C ' ' B' ' 88' ' ' LEU . 8.8 tt -59.26 -50.18 75.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.18 -44.64 94.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 -176.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.29 -39.2 75.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.92 -50.37 74.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.246 176.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.8 -45.88 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.216 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.216 -177.754 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.797 0.332 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -63.8 -49.32 73.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.196 -173.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -81.17 -30.19 34.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -172.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.25 -44.94 88.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 174.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -53.17 -48.21 68.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 73.4 m -59.44 -41.28 89.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 72.0 mt -65.65 -38.44 89.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.13 -36.39 83.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -58.2 -47.42 83.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 173.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.47 -40.21 96.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.161 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -61.02 -57.11 13.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.98 -46.28 89.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.243 -176.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.12 -42.15 93.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.216 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' LEU . . . . . 0.51 HD13 ' C ' ' C' ' 20' ' ' LEU . 3.2 tm? -63.98 -48.3 76.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 178.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -58.92 -44.38 91.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.208 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -62.76 -40.88 98.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.267 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.03 -50.26 74.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.44 -41.56 98.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.191 -174.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.57 -41.16 93.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.176 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.83 79.53 33.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.238 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -57.07 142.94 94.22 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.667 1.578 . . . . 0.0 111.183 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 93.5 p -161.47 158.62 26.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.209 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.18 -25.09 67.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -75.1 -54.82 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -72.97 -30.58 63.94 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.04 -171.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 tp -62.86 -28.33 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.714 0.292 . . . . 0.0 111.148 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 72.3 t -83.28 -43.97 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.195 175.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.8 -39.55 89.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.66 -38.23 80.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.262 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.36 -44.93 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -54.58 -48.06 72.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.198 176.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.01 -38.85 76.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.234 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 84.1 mt -65.14 -43.86 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.246 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.91 -42.98 91.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.62 -42.79 97.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.18 175.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -65.7 -40.28 92.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.26 -39.27 86.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.29 90.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 176.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -66.11 -42.34 89.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 79.5 mt -60.29 -51.64 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 51.4 t -64.11 -43.79 97.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.188 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -58.61 -43.86 89.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.28 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.82 -44.53 96.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.204 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.75 -45.21 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.261 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -55.04 -44.14 74.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 177.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.18 -46.17 88.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.267 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.08 -45.52 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.255 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.93 -47.51 93.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.21 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.06 -38.79 91.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -64.02 -41.22 97.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.264 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.84 -39.33 94.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.187 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.02 86.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.152 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.71 -39.46 93.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.104 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.16 -42.71 97.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.219 175.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 45.8 t -58.83 -43.99 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -61.32 -42.92 99.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.175 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -63.68 -43.46 96.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.193 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.32 -37.82 87.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -57.99 -48.56 79.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 174.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.97 86.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 69.1 mt -60.12 -44.09 94.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.242 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.8 -45.57 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.72 -40.62 76.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.23 89.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.242 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.93 -42.72 99.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.242 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -61.17 -35.8 78.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.26 -58.96 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.197 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 pt -81.24 -12.99 12.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -172.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 75' ' ' GLY . . . . . 0.402 ' O ' ' OG1' ' C' ' 78' ' ' THR . . . -103.61 18.13 48.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 178.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.45 132.42 46.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.8 -13.69 63.58 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' C' ' 75' ' ' GLY . 60.9 p -82.87 169.24 16.29 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.368 0.604 . . . . 0.0 111.045 -178.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -85.59 -24.19 27.28 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.216 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 33.5 pt -60.87 -14.7 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.228 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.08 -36.31 77.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.226 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.5 -36.34 83.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 -172.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.22 -42.6 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.235 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 65.3 mtm -63.64 -41.07 98.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.277 -173.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.68 -37.22 85.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.215 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.1 -46.64 70.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 175.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.19 -38.16 88.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 88' ' ' LEU . . . . . 0.483 ' C ' HD23 ' C' ' 88' ' ' LEU . 8.8 tt -59.22 -50.25 74.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.12 -44.69 94.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.27 -39.13 75.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 55.3 tp -58.92 -50.33 74.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.277 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.88 -45.89 71.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 -177.723 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -100.02 5.8 45.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 111.242 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -64.51 133.46 52.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 59.3 ttm -109.88 136.96 48.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.178 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.08 156.9 33.05 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -175.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.8 m -60.7 -41.24 94.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 111.262 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.0 -36.78 80.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.236 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -57.11 -41.54 79.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.257 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.01 -43.01 99.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.244 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.45 -49.41 77.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.182 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -60.75 -39.08 87.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.23 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -62.39 -39.7 94.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 mt -74.26 -26.6 60.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.8 -40.1 94.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.225 174.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -65.41 -42.19 92.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.0 -43.21 86.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.226 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -54.71 -49.48 70.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.198 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -53.65 -45.93 70.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.275 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.6 -43.46 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -56.58 -49.36 75.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.17 -40.79 86.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -64.9 -39.81 94.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.35 -49.92 75.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.273 176.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.68 -41.37 98.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -175.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.14 -41.27 81.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.234 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -136.61 79.18 41.52 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.214 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -54.51 134.58 62.47 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.724 1.616 . . . . 0.0 111.239 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.8 p -164.94 156.83 15.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.211 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.33 -38.24 76.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.69 -52.53 64.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.86 -33.21 75.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.297 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.6 mt -63.11 -49.65 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.7 t -64.83 -42.63 95.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.228 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -65.09 -39.16 92.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.92 92.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.76 -46.83 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.7 ttp85 -52.42 -52.39 54.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.314 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.12 85.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 82.3 mt -63.55 -46.91 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.56 -46.41 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -63.96 -41.07 97.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -67.96 -35.2 77.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.289 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -59.89 -41.64 92.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 176.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.08 98.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -61.46 -40.05 93.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.211 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 90.1 mt -62.33 -47.67 91.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.63 -41.39 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -64.68 -39.25 93.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.65 98.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 173.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.42 -44.86 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.22 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -49.35 -56.5 9.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.237 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.4 93.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.204 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 87.9 mt -59.32 -46.54 92.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.4 t -62.21 -42.01 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.69 -40.44 92.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.255 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.45 -42.63 95.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.37 -38.92 85.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.14 90.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.132 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -64.08 -38.57 91.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.26 -41.96 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.16 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.3 t -59.37 -46.39 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.194 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.54 -42.04 95.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -61.61 -38.51 87.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.181 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -61.96 -38.26 87.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.89 -37.71 88.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.22 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.03 87.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.484 HG13 HE21 ' C' ' 87' ' ' GLN . 82.4 mt -59.7 -44.08 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 175.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.92 -47.93 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.35 -43.09 96.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.81 93.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.254 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.5 tp -64.51 -47.98 76.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.54 -33.98 74.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.179 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.72 -59.04 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.4 pt -73.56 -22.02 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -175.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.3 11.43 67.17 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.57 133.37 35.0 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -175.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.436 ' H ' HD11 ' A' ' 81' ' ' LEU . . . 95.91 -14.75 64.22 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.423 HG22 ' H ' ' A' ' 80' ' ' ILE . 56.9 m -86.31 142.93 28.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 111.205 -178.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.47 -32.27 26.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.176 -174.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.423 ' H ' HG22 ' A' ' 78' ' ' THR . 50.4 pt -50.23 -23.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 -172.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.436 HD11 ' H ' ' A' ' 77' ' ' GLY . 91.9 mt -54.68 -36.49 64.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.273 -177.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -62.48 -34.2 76.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -101.1 -35.39 9.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 -171.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 79.5 mmm -66.1 -32.86 74.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.252 -177.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.0 -35.65 80.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.55 -42.0 98.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.486 HE21 HG13 ' B' ' 67' ' ' ILE . 46.3 tt0 -60.23 -46.9 88.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.207 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 tt -52.39 -45.86 66.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.38 -38.11 88.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.199 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.11 -38.6 85.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.251 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.03 -40.38 96.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.423 ' NZ ' ' OE2' ' A' ' 96' ' ' GLU . 66.4 tttm -57.32 -45.79 83.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 174.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -53.84 -46.1 71.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 175.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.7 m -65.82 -38.55 89.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 28.9 tp -58.49 -32.23 68.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.423 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 96.4 mt-10 -89.65 16.43 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.116 -174.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -129.01 146.35 51.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.167 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.053 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.428 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.579 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -100.03 5.84 45.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 0.0 111.214 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -64.66 133.5 52.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 59.3 ttm -109.8 136.94 48.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.212 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.11 156.9 33.0 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -175.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 84.9 m -60.78 -41.14 94.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.861 0.362 . . . . 0.0 111.186 174.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.12 -36.71 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -57.12 -41.5 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.266 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.09 -43.06 99.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -59.37 -49.35 78.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.245 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -60.83 -39.09 87.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -62.44 -39.61 93.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.273 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 63.5 mt -74.32 -26.61 60.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.86 -40.02 93.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 174.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -65.49 -42.07 92.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.141 172.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 57.3 tp -58.11 -43.11 87.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.182 176.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -54.77 -49.51 70.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -53.65 -45.91 70.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.273 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.63 -43.42 98.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.8 tp -56.65 -49.24 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.3 -40.67 86.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.0 -39.7 93.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.39 -49.96 75.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.275 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.64 -41.42 98.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 -175.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.17 -41.18 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.252 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -136.68 79.19 41.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.48 134.56 62.28 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.657 1.572 . . . . 0.0 111.261 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 93.9 p -164.92 156.91 15.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.199 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.33 -38.31 76.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.69 -52.48 64.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.92 -33.26 75.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.234 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.02 -49.7 82.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 177.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 63.2 t -64.86 -42.62 95.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -65.08 -39.21 92.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.89 92.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.85 -46.76 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -52.49 -52.38 54.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.266 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.11 86.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 82.7 mt -63.48 -46.9 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.23 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -58.69 -46.26 90.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.199 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -64.01 -41.09 97.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.207 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -67.99 -35.24 78.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.83 -41.64 91.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 176.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.1 98.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.193 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -61.47 -39.97 92.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.238 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 89.9 mt -62.43 -47.64 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.64 -41.39 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.243 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.62 -39.25 93.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.248 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.59 98.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 173.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 86.1 mt -61.39 -44.9 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 176.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -49.38 -56.43 9.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.5 -44.45 93.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -177.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.28 -46.58 92.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 43.9 t -62.3 -41.87 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.68 -40.59 92.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 176.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.42 -42.56 95.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.4 -38.94 85.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.229 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.22 90.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.14 176.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -64.01 -38.67 91.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.21 -41.93 94.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 50.2 t -59.37 -46.4 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.54 -42.1 95.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 174.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -61.48 -38.64 88.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.191 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -62.01 -38.13 87.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.9 -37.74 88.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.273 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.05 87.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.486 HG13 HE21 ' A' ' 87' ' ' GLN . 82.5 mt -59.67 -44.11 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 175.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.9 -47.86 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.42 -43.13 97.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.85 94.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.279 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 66.8 tp -64.54 -47.92 76.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.193 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.5 -34.12 74.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.67 -59.03 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.228 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 pt -73.54 -21.96 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 -175.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.41 11.47 66.95 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.61 133.36 35.17 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . 0.445 ' H ' HD11 ' B' ' 81' ' ' LEU . . . 95.86 -14.61 64.46 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.409 HG22 ' H ' ' B' ' 80' ' ' ILE . 56.3 m -86.38 142.8 28.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.759 0.314 . . . . 0.0 111.218 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.32 -32.36 25.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.233 -174.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.409 ' H ' HG22 ' B' ' 78' ' ' THR . 50.5 pt -50.14 -23.61 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.219 -172.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.445 HD11 ' H ' ' B' ' 77' ' ' GLY . 91.9 mt -54.6 -36.55 64.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.228 -177.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.49 -34.22 76.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -174.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -101.15 -35.43 9.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -171.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 79.5 mmm -66.06 -32.89 74.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.08 -35.54 80.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 176.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.61 -41.93 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.178 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . 0.47 HE21 HG13 ' C' ' 67' ' ' ILE . 46.3 tt0 -60.22 -46.85 88.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 177.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.401 ' C ' HD23 ' B' ' 88' ' ' LEU . 9.7 tt -52.46 -45.82 66.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.35 -38.23 88.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.19 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.95 -38.65 86.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.264 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.05 -40.43 96.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.191 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.416 ' NZ ' ' OE2' ' B' ' 96' ' ' GLU . 66.3 tttm -57.24 -45.84 83.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 174.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -53.85 -46.03 71.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 74.6 m -65.88 -38.57 89.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 28.8 tp -58.37 -32.3 68.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.254 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . 0.416 ' OE2' ' NZ ' ' B' ' 92' ' ' LYS . 96.4 mt-10 -89.65 16.42 7.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -174.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -128.99 146.4 50.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.205 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.074 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.496 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -99.98 5.73 45.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.811 0.339 . . . . 0.0 111.252 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -64.56 133.48 52.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 -177.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 59.3 ttm -109.85 136.93 48.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.13 156.9 32.96 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -175.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 85.4 m -60.75 -41.1 94.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 111.264 174.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.22 -36.55 80.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -57.25 -41.47 79.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.243 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.08 -43.06 99.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.38 -49.39 78.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.268 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -60.74 -39.1 87.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.247 -175.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 64.0 m -62.43 -39.66 94.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.236 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 mt -74.29 -26.62 60.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.82 -40.05 93.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.258 174.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -65.43 -42.17 92.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.222 172.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 57.2 tp -57.98 -43.13 86.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 176.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -54.74 -49.51 70.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -53.71 -45.9 70.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.61 -43.42 98.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 57.7 tp -56.57 -49.34 75.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.238 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.15 -40.79 86.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.248 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -64.89 -39.77 94.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.171 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.32 -49.94 75.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.263 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.69 -41.38 98.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 -175.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.19 -41.11 81.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.25 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -136.71 79.15 40.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.51 134.6 62.59 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.674 1.583 . . . . 0.0 111.279 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 94.9 p -164.95 156.89 15.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.21 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.35 -38.28 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.207 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.67 -52.47 65.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.208 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.94 -33.24 75.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.276 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.0 -49.71 82.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.219 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.79 -42.7 95.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -65.01 -39.17 93.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.261 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.89 92.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.82 -46.81 95.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.182 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -52.44 -52.5 53.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.232 178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.41 -40.09 85.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.254 -178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.5 -46.96 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -58.6 -46.33 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -64.02 -41.04 97.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -68.04 -35.16 77.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.89 -41.61 92.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 176.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.13 98.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.37 -40.1 93.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.254 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.22 -47.69 91.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.274 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.7 -41.29 91.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.292 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -64.67 -39.28 93.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.189 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.52 98.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.191 173.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.52 -44.85 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -49.4 -56.39 9.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.47 93.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 87.9 mt -59.32 -46.56 92.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 44.5 t -62.23 -42.04 93.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.55 -40.53 91.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.259 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.48 -42.52 95.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 174.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.41 -38.96 85.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.194 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.19 90.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -64.01 -38.56 91.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.33 -41.86 94.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.216 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 50.3 t -59.38 -46.45 92.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 176.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.46 -42.11 95.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 174.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -61.54 -38.56 87.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.185 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -62.04 -38.15 87.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.9 -37.74 88.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.221 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.05 87.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . 0.47 HG13 HE21 ' B' ' 87' ' ' GLN . 82.4 mt -59.69 -44.1 92.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.235 175.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.92 -47.87 91.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.46 -42.98 97.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.241 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.78 93.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.239 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 66.5 tp -64.5 -47.92 77.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.237 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.53 -34.04 74.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.76 -58.9 6.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.284 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 34.6 pt -73.68 -21.93 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.196 -175.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.38 11.45 67.01 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.56 133.33 35.0 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . 0.43 ' H ' HD11 ' C' ' 81' ' ' LEU . . . 95.91 -14.7 64.3 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.419 HG22 ' H ' ' C' ' 80' ' ' ILE . 56.3 m -86.36 142.84 28.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 0.0 111.239 -178.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.39 -32.34 25.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.116 -174.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' ILE . . . . . 0.419 ' H ' HG22 ' C' ' 78' ' ' THR . 50.4 pt -50.2 -23.61 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.236 -172.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . 0.43 HD11 ' H ' ' C' ' 77' ' ' GLY . 91.8 mt -54.57 -36.54 64.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.254 -177.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.54 -34.14 76.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -174.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -101.17 -35.41 9.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 -171.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 79.5 mmm -66.03 -32.93 74.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.211 -177.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -66.96 -35.65 80.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.58 -41.92 98.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . 0.484 HE21 HG13 ' A' ' 67' ' ' ILE . 46.3 tt0 -60.28 -46.86 88.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 177.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' LEU . . . . . 0.4 HD23 ' C ' ' C' ' 88' ' ' LEU . 9.7 tt -52.41 -45.89 66.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.33 -38.19 88.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -67.0 -38.65 86.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.253 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.0 -40.44 96.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.253 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . 0.411 ' NZ ' ' OE2' ' C' ' 96' ' ' GLU . 66.3 tttm -57.22 -45.84 83.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 174.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -53.82 -46.04 71.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 175.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 74.5 m -65.91 -38.54 88.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 177.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 28.9 tp -58.43 -32.29 68.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . 0.411 ' OE2' ' NZ ' ' C' ' 92' ' ' LYS . 96.4 mt-10 -89.65 16.51 7.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.178 -174.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -129.06 146.3 51.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.198 -2.099 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.439 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.601 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p -69.25 155.92 39.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 111.245 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -122.64 -18.82 6.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.268 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 56.8 ttm -70.15 140.32 52.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 -172.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.81 70.19 0.96 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.0 p -97.77 11.12 38.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 111.198 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 -42.77 95.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.94 -34.63 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.83 -47.06 79.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.281 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.98 -41.51 95.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -61.44 -40.42 94.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.25 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.2 m -61.63 -39.38 91.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.19 -42.53 86.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.53 -35.68 81.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -63.04 -40.83 98.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 175.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.71 -39.54 91.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -58.31 -51.41 69.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.2 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -55.34 -48.51 74.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.283 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.01 -43.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.7 -45.94 85.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.202 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.45 -38.91 85.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.262 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -65.42 -38.57 90.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.9 mt -62.26 -38.75 90.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.207 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.75 -38.04 86.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -77.07 -39.81 48.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.233 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -153.82 95.76 2.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.22 60.67 7.94 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.706 1.604 . . . . 0.0 111.212 -175.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.4 p -76.75 158.74 30.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.63 -36.53 74.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.221 175.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.44 -48.79 79.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.216 177.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -67.25 -35.41 79.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.179 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.4 mt -65.17 -49.09 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.59 -33.29 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.295 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.56 -36.19 78.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.211 173.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.73 90.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.42 -46.43 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.208 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -50.83 -53.95 27.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.72 83.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.24 -46.25 87.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.55 -43.85 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.03 -40.32 97.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.265 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -63.11 -40.94 99.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.25 -36.22 79.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.0 -41.51 87.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.252 175.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.85 -37.77 79.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.183 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.95 -50.96 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.2 -45.44 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.242 -175.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -66.33 -39.69 89.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.17 97.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.212 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.51 -47.1 93.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.203 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -57.77 -42.67 84.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.26 95.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.248 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.405 HG21 ' CG2' ' C' ' 53' ' ' ILE . 96.3 mt -62.27 -40.46 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.92 -48.0 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.207 175.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.15 -42.11 89.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.18 -41.48 98.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.278 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -64.58 -38.09 89.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.268 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.73 89.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 175.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -64.92 -42.51 94.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.85 -50.24 81.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.237 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.88 -43.88 99.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.211 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -63.97 -39.13 93.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.32 -37.44 85.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.18 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -59.67 -37.91 80.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.235 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.63 -42.35 99.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.32 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.62 87.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 177.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.96 -44.12 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.61 -40.22 88.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.189 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.58 -39.73 85.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 175.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.47 -37.89 87.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 174.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.27 -49.97 74.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 172.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.478 ' OE2' ' NZ ' ' A' ' 85' ' ' LYS . 84.2 tt0 -58.31 -33.53 69.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 -177.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.27 -32.21 69.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.3 pt -117.32 -9.88 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.2 -172.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.97 1.72 71.09 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.74 142.35 48.14 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.1 -12.7 68.9 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.418 HG22 ' H ' ' A' ' 80' ' ' ILE . 88.3 m -110.66 136.22 50.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.347 . . . . 0.0 111.209 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.8 -27.18 16.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.219 -170.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.418 ' H ' HG22 ' A' ' 78' ' ' THR . 11.0 tp -54.07 -23.47 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 -178.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 81' ' ' LEU . 3.7 pp -59.41 -24.32 63.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 -175.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -73.05 -40.08 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.173 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.29 -34.53 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.212 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.46 -44.11 89.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.478 ' NZ ' ' OE2' ' A' ' 72' ' ' GLU . 67.9 mttm -64.01 -38.49 91.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -61.68 -40.2 94.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -61.79 -36.6 81.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.26 -40.87 91.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.245 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.82 -41.19 95.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -62.22 -41.73 98.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.33 -39.78 92.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.2 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.36 -44.91 84.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.59 -36.48 78.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.8 m -63.34 -39.45 94.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.177 178.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 87.6 mt -59.3 -37.93 78.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -90.86 0.85 57.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 -174.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -96.15 121.52 38.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 -173.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.057 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 178.021 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.4 p -69.29 155.93 39.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 0.0 111.199 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -122.68 -18.74 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.25 175.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 56.8 ttm -70.25 140.46 52.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 -172.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.91 70.21 0.98 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 69.7 p -97.76 11.11 38.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 111.218 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.18 -42.73 95.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.94 -34.66 76.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.147 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.78 -47.08 79.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.225 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -65.06 -41.41 95.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -61.39 -40.5 94.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.281 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 72.5 m -61.61 -39.44 91.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.19 -42.49 86.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.235 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.48 -35.72 81.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -63.0 -40.87 99.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 175.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.77 -39.5 91.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -58.29 -51.39 69.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.214 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -55.31 -48.54 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.306 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.99 -43.3 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 55.5 tp -57.79 -45.9 85.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.38 -38.97 85.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.276 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -65.41 -38.57 90.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 176.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 mt -62.29 -38.69 90.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.9 -37.97 86.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -77.03 -39.85 48.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -153.8 95.84 2.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -176.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -80.25 60.64 7.92 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.785 1.657 . . . . 0.0 111.194 -175.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 94.4 p -76.77 158.74 30.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.56 -36.58 74.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.273 175.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.41 -48.84 79.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -67.23 -35.35 79.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.247 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.12 -49.04 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.223 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.68 -33.22 52.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.263 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.6 -36.18 78.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 173.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.4 -45.63 90.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.243 174.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.42 -46.45 95.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -50.81 -53.91 28.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 174.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.74 84.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.2 mt -66.22 -46.28 87.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.51 -43.83 98.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.15 -40.27 97.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -63.07 -41.05 99.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 174.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.22 -36.24 79.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.227 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.62 87.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.252 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.81 -37.8 79.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.214 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.92 -50.95 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.25 -45.45 98.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 -175.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -66.17 -39.76 90.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.03 97.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.58 -47.11 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -57.8 -42.59 84.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.189 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.31 95.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . 0.403 HG21 ' CG2' ' A' ' 53' ' ' ILE . 96.4 mt -62.25 -40.5 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.1 t -57.78 -48.07 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.248 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.12 -42.15 89.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.14 -41.52 98.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -64.57 -38.07 89.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.265 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.53 -43.76 89.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.188 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -64.9 -42.54 94.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 176.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 78.7 mt -60.9 -50.21 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 71.3 t -62.8 -43.96 99.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -63.92 -39.14 93.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.217 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -66.21 -37.47 85.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.76 -37.88 80.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.63 -42.4 99.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.311 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.66 87.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.9 -44.09 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.221 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.65 -40.21 88.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.226 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.54 -39.78 85.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.86 87.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.235 174.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.2 -50.01 74.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.234 172.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.476 ' OE2' ' NZ ' ' B' ' 85' ' ' LYS . 84.2 tt0 -58.28 -33.59 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 -177.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.18 -32.21 69.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 47.6 pt -117.34 -9.85 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.195 -172.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.02 1.72 70.95 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.7 142.42 48.2 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -176.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.04 -12.64 69.03 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.415 HG22 ' H ' ' B' ' 80' ' ' ILE . 88.2 m -110.69 136.21 50.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 111.222 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.77 -27.28 17.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.159 -170.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.415 ' H ' HG22 ' B' ' 78' ' ' THR . 11.0 tp -54.05 -23.45 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.47 ' C ' HD12 ' B' ' 81' ' ' LEU . 3.7 pp -59.45 -24.28 63.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.188 -175.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -73.13 -40.07 65.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.22 -34.68 75.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.36 -44.11 88.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 176.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . 0.476 ' NZ ' ' OE2' ' B' ' 72' ' ' GLU . 67.9 mttm -63.98 -38.55 91.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.198 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -61.69 -40.08 93.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -61.84 -36.59 81.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 89.8 mt -60.29 -40.9 92.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.24 177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.76 -41.22 96.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.17 -41.81 98.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 92.0 mt -65.28 -39.8 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.214 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.28 -44.91 84.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.28 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.62 -36.53 78.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 69.0 m -63.24 -39.5 94.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.23 -38.0 78.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.226 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -90.78 0.79 57.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.228 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -96.09 121.54 37.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 -173.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.052 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 178.1 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 94.8 p -69.26 155.92 39.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 111.233 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -122.65 -18.79 6.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.254 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 56.8 ttm -70.17 140.43 52.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 -172.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.89 70.19 0.98 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 70.1 p -97.78 11.14 38.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.78 0.324 . . . . 0.0 111.196 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.25 -42.7 95.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.231 -178.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.92 -34.61 76.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 tp -64.87 -47.04 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.21 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.94 -41.52 95.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -61.42 -40.44 94.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.245 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 72.3 m -61.65 -39.42 91.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 57.2 tp -58.17 -42.51 86.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 177.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.52 -35.68 81.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -63.07 -40.77 98.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 77.2 mt -61.76 -39.53 91.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -58.17 -51.49 69.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.236 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -55.33 -48.62 73.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.225 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.92 -43.21 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 55.4 tp -57.83 -45.93 85.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.37 -39.01 85.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.234 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -65.36 -38.6 90.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 47.8 mt -62.23 -38.76 90.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.188 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.79 -37.92 86.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -77.19 -39.78 47.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -153.82 95.76 2.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -176.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -80.22 60.63 7.92 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.739 1.626 . . . . 0.0 111.19 -175.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -76.79 158.82 30.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.209 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.55 -36.63 74.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.229 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.42 -48.86 79.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -67.26 -35.27 79.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.25 -49.07 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.64 -33.29 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.221 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.5 -36.23 78.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 173.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.58 91.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.264 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 93.0 mt -60.44 -46.48 95.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -50.75 -53.89 27.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.65 84.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.24 -46.36 87.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.44 -43.81 98.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.265 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.14 -40.25 97.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.188 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -63.14 -41.02 99.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 174.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -61.22 -36.27 79.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.97 -41.54 87.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.81 -37.82 79.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.179 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 74.5 mt -61.91 -50.97 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.2 -45.48 98.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 -175.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -66.24 -39.72 89.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.06 97.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.49 -47.14 92.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -57.85 -42.59 84.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.38 95.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.174 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.405 ' CG2' HG21 ' A' ' 53' ' ' ILE . 96.3 mt -62.16 -40.49 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.265 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.6 t -57.82 -48.11 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 175.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -59.08 -42.04 89.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.291 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.21 -41.59 98.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.22 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -64.46 -38.11 89.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.229 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.69 89.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 175.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -64.92 -42.45 94.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.278 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 79.0 mt -60.94 -50.18 81.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.91 -43.92 99.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -63.85 -39.15 93.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.221 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.33 -37.4 85.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.73 -37.84 80.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.249 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.68 -42.4 99.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.261 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.21 -38.65 87.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.95 -44.11 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 92.9 mt -64.66 -40.14 88.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.63 -39.65 85.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.205 175.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.91 87.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 174.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.22 -49.99 74.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.187 172.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' GLU . . . . . 0.475 ' OE2' ' NZ ' ' C' ' 85' ' ' LYS . 84.1 tt0 -58.24 -33.54 69.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.271 -177.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.29 -32.16 69.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 47.4 pt -117.38 -9.89 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.207 -172.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.99 1.74 71.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.75 142.39 48.16 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -176.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.1 -12.67 68.97 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.408 HG22 ' H ' ' C' ' 80' ' ' ILE . 87.9 m -110.72 136.22 50.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 111.188 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.75 -27.33 17.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -170.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' ILE . . . . . 0.408 ' H ' HG22 ' C' ' 78' ' ' THR . 11.0 tp -54.03 -23.36 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -177.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . 0.461 HD12 ' C ' ' C' ' 81' ' ' LEU . 3.7 pp -59.49 -24.33 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -175.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -73.07 -39.96 65.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -69.3 -34.61 74.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.46 -44.09 89.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 176.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 85' ' ' LYS . . . . . 0.475 ' NZ ' ' OE2' ' C' ' 72' ' ' GLU . 67.9 mttm -64.0 -38.52 91.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -61.56 -40.19 93.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.231 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -61.81 -36.68 81.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.21 -40.84 91.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.275 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.84 -41.19 95.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.25 -41.73 98.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.32 -39.78 92.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.258 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.28 -44.93 84.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.312 175.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.56 -36.54 78.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 68.9 m -63.3 -39.46 94.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.195 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.29 -37.93 78.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -90.83 0.81 57.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 -174.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -96.09 121.54 37.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.174 -173.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.044 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 178.043 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.546 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.0 p -65.35 -25.61 67.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 111.282 -177.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -125.81 -64.28 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 172.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.6 ptm -164.46 157.33 17.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 165.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.22 132.96 7.8 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 172.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.49 ' HB ' ' HE ' ' C' ' 51' ' ' ARG . 60.3 p -70.85 -18.65 62.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.687 0.28 . . . . 0.0 111.199 -177.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.76 -32.12 72.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.215 175.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.11 -31.64 72.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.277 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.16 -41.13 86.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.264 175.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.92 -43.36 79.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -52.82 -43.17 65.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.249 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.411 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 69.0 m -56.32 -43.44 78.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 177.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.84 -38.76 92.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.17 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.43 -37.59 85.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HE ' ' HA ' ' A' ' 12' ' ' SER . 74.0 mtm180 -62.68 -41.35 99.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.229 175.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.61 -38.38 90.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.234 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -54.71 -52.33 62.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -57.01 -44.04 82.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.246 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.0 mt -59.68 -44.45 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.237 178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.82 -42.43 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.158 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.35 -41.55 98.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.234 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.18 -42.42 93.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 175.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.51 -49.32 75.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.249 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.61 -43.1 99.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.52 -41.73 96.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -137.98 80.29 30.4 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -57.96 141.73 96.24 Favored 'Trans proline' 0 C--N 1.327 -0.571 0 C-N-CA 121.667 1.578 . . . . 0.0 111.209 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.3 p -162.19 153.12 17.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.191 175.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.7 -37.6 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.236 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -59.22 -53.02 63.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -71.64 -31.56 66.98 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.049 -174.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.8 -48.77 86.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.778 0.323 . . . . 0.0 111.197 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.62 -45.35 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.71 -41.33 98.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.29 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.12 99.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.87 -46.23 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.26 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.88 -45.92 89.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 175.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -41.43 84.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.21 -175.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -58.2 -45.68 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.291 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 80.7 t -66.61 -43.07 90.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.233 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.45 -35.13 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -79.17 -39.82 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.407 ' O ' HG12 ' A' ' 46' ' ' ILE . 90.6 m-20 -58.32 -34.37 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.83 -32.1 51.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.285 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -78.77 -36.31 43.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 -175.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 43' ' ' ASN . 4.7 pt -79.96 -28.88 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 -177.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.84 -39.3 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -63.17 -36.99 85.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 175.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.35 -31.72 72.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.181 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 92.4 mt -68.83 -48.22 71.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 171.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.496 ' HE ' ' HB ' ' B' ' 6' ' ' THR . 71.6 mtp180 -63.25 -47.88 80.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 -175.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.8 -35.44 72.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 -174.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.9 mt -72.26 -36.66 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -176.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.23 -45.04 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 173.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.76 -40.35 97.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.249 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -58.24 -48.09 81.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.194 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -53.98 -47.23 71.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.1 -42.35 85.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -69.1 -38.84 79.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.53 -45.41 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.223 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.64 -45.54 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -63.12 -39.34 94.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.262 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.45 -42.41 92.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -60.48 -43.24 97.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -63.11 -42.4 99.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.246 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.24 89.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 92.4 mt -61.46 -46.48 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.232 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.89 -45.79 97.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.305 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.55 -39.1 82.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.213 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.52 -41.51 97.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.35 -39.08 93.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.72 -40.03 84.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 174.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.4 -37.34 80.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -177.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.5 tt -86.86 1.59 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.03 19.8 60.45 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.73 16.26 56.33 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.91 148.44 43.05 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -173.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 47.4 p -132.64 168.74 17.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.423 ' NZ ' ' OE2' ' A' ' 83' ' ' GLU . 66.1 tttm -54.16 -45.87 72.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 173.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.26 -46.68 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.4 mt -60.63 -42.5 97.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -177.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.86 -46.02 85.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.247 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.423 ' OE2' ' NZ ' ' A' ' 79' ' ' LYS . 97.0 mt-10 -61.35 -41.77 97.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.24 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 37.6 mmt -62.77 -43.03 99.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -57.0 -47.75 80.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 177.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.15 -40.87 86.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.162 -177.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.47 -41.63 88.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.44 -40.79 98.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.22 -50.0 73.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.61 -34.57 75.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.0 tp -49.2 -39.48 29.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -56.07 -28.39 57.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.231 -172.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -63.81 -22.52 66.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.203 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.6 p -108.21 2.92 23.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.232 -173.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 67.9 mt -95.23 146.24 24.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.225 -176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -58.67 133.41 55.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.225 166.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -163.94 150.37 11.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.202 -171.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.968 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 177.476 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.4 p -65.47 -25.54 67.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 111.245 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -125.85 -64.17 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.243 172.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 28.6 ptm -164.5 157.34 17.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 165.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.18 132.93 7.8 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.496 ' HB ' ' HE ' ' A' ' 51' ' ' ARG . 59.4 p -70.75 -18.75 62.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 0.0 111.222 -177.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.79 -32.04 72.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.216 175.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.1 -31.68 72.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.244 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -67.14 -41.14 86.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.283 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.97 -43.23 79.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.182 174.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -52.99 -43.05 66.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' SER . . . . . 0.411 ' HA ' ' HE ' ' B' ' 15' ' ' ARG . 68.7 m -56.46 -43.37 79.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 177.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.8 -38.7 91.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.278 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.46 -37.62 85.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.411 ' HE ' ' HA ' ' B' ' 12' ' ' SER . 74.0 mtm180 -62.62 -41.39 98.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.255 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.63 -38.36 90.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.238 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -54.62 -52.45 62.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -56.89 -44.15 82.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 92.0 mt -59.75 -44.39 93.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.75 -42.52 97.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.19 -41.7 98.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.267 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.15 -42.41 93.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 175.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.0 tp -62.51 -49.4 75.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.183 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.51 -43.07 99.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.28 -174.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.63 -41.63 96.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.227 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -138.09 80.31 29.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -57.93 141.76 96.19 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.673 1.582 . . . . 0.0 111.181 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 86.2 p -162.26 153.14 17.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 175.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -37.62 73.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -59.2 -53.0 63.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -71.6 -31.55 67.04 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.066 -174.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.82 -48.86 86.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.814 0.34 . . . . 0.0 111.179 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.52 -45.41 97.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.58 -41.41 98.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.27 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.1 99.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.247 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.83 -46.28 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.247 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.84 -45.92 88.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.164 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.42 -41.41 84.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -175.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.16 -45.8 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.63 -43.03 90.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.44 -35.13 75.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.215 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -79.11 -39.9 32.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.198 177.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.404 ' O ' HG12 ' B' ' 46' ' ' ILE . 90.6 m-20 -58.35 -34.37 70.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 177.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.75 -32.19 51.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.256 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -78.79 -36.33 42.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.404 HG12 ' O ' ' B' ' 43' ' ' ASN . 4.7 pt -79.93 -28.85 12.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.274 -178.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.85 -39.29 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.196 175.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -63.1 -37.05 85.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -31.61 72.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.198 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 92.3 mt -68.84 -48.2 72.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.485 ' HE ' ' HB ' ' C' ' 6' ' ' THR . 71.6 mtp180 -63.32 -47.82 80.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 -175.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.52 72.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 96.9 mt -72.2 -36.67 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -176.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.5 t -52.23 -45.0 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.231 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.7 -40.46 97.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 176.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -58.21 -48.08 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.256 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -53.96 -47.25 71.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.04 -42.47 85.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -68.96 -38.95 79.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 78.5 mt -62.45 -45.46 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.56 -45.55 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.231 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -63.13 -39.44 94.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.255 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.35 -42.5 92.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.166 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -60.48 -43.16 97.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -63.12 -42.45 99.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.233 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.24 89.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.47 -46.44 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.278 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.99 -45.79 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.195 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.61 -39.04 82.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.2 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.54 97.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 175.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.41 -39.02 93.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.77 -39.97 84.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.25 80.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 -177.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 15.4 tt -86.9 1.61 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.241 -176.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.03 19.77 60.5 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.71 16.23 56.39 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.94 148.44 43.0 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -173.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 47.5 p -132.65 168.69 17.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.356 . . . . 0.0 111.205 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -54.15 -45.81 72.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.215 173.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -46.56 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.65 -42.55 97.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.82 -46.04 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.38 -41.77 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.212 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 37.6 mmt -62.77 -43.09 99.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.165 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -56.87 -47.8 79.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.09 -40.89 87.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.46 -41.67 88.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.45 -40.74 97.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.225 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.21 -50.04 73.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.69 -34.42 75.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 tp -49.35 -39.43 31.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -55.95 -28.52 57.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -172.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -63.74 -22.51 66.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 98.3 p -108.17 2.83 23.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.284 -173.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 67.7 mt -95.19 146.25 24.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 -176.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.61 133.5 55.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 166.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -164.1 150.32 11.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.181 -171.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.955 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 177.514 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.592 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 93.4 p -65.45 -25.53 67.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 111.261 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -125.86 -64.21 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 172.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 28.6 ptm -164.48 157.25 17.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.217 166.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.21 132.93 7.79 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 172.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' THR . . . . . 0.485 ' HB ' ' HE ' ' B' ' 51' ' ' ARG . 60.5 p -70.82 -18.73 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.318 . . . . 0.0 111.157 -177.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.64 -32.17 72.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.242 175.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.09 -31.7 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.12 -41.17 86.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.294 175.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.96 -43.23 79.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 174.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -53.0 -43.05 66.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.412 ' HA ' ' HE ' ' C' ' 15' ' ' ARG . 68.7 m -56.41 -43.42 79.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 177.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.79 -38.78 92.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.37 -37.58 85.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.238 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' C' ' 12' ' ' SER . 74.0 mtm180 -62.73 -41.37 99.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 175.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.59 -38.37 90.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -54.61 -52.49 62.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.229 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -56.81 -44.24 81.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 91.7 mt -59.7 -44.39 93.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.81 -42.39 97.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.34 -41.63 98.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.198 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.19 -42.35 93.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.59 -49.4 75.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -62.6 -43.03 99.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 -174.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.67 -41.61 95.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -138.01 80.29 30.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 -178.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -57.94 141.78 96.23 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.662 1.575 . . . . 0.0 111.179 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -162.19 153.16 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.77 -37.54 73.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -59.33 -52.94 63.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -71.67 -31.54 66.92 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.038 -174.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.81 -48.76 86.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.786 0.327 . . . . 0.0 111.262 177.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.57 -45.37 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.263 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.68 -41.31 98.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.268 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.11 99.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.205 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.98 -46.19 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.232 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.78 -46.02 88.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.42 -41.24 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.296 -175.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 78.6 mt -58.35 -45.72 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.214 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 80.2 t -66.66 -43.03 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.51 -35.18 75.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -79.04 -39.82 32.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -58.46 -34.32 70.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.87 -32.19 52.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -78.67 -36.34 43.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.24 -175.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 pt -80.0 -28.81 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.279 -177.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.88 -39.23 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.207 175.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -63.1 -37.07 85.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 175.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.43 -31.7 72.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 174.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 92.1 mt -68.86 -48.15 72.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 171.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' ARG . . . . . 0.49 ' HE ' ' HB ' ' A' ' 6' ' ' THR . 71.6 mtp180 -63.28 -47.89 80.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -175.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.7 -35.53 72.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 96.9 mt -72.21 -36.71 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 -176.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.12 -45.1 41.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.76 -40.37 97.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 176.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.25 -48.04 81.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' ASN . . . . . 0.477 HD22 ' HA ' ' C' ' 57' ' ' ASN . 7.1 m120 -54.01 -47.21 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.239 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.36 85.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -69.09 -38.92 79.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 78.8 mt -62.49 -45.34 99.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.262 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.67 -45.53 97.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -63.12 -39.44 94.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.299 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -65.35 -42.49 92.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -60.46 -43.2 97.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 178.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -63.16 -42.4 99.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.22 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.62 -41.29 90.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.41 -46.44 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.245 176.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.04 -45.68 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.261 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.67 -39.04 83.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.193 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.56 97.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 175.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.36 -39.0 93.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.245 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.72 -40.03 84.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 174.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.45 -37.21 80.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.268 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 15.4 tt -86.89 1.52 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.03 19.86 60.35 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.78 16.3 56.22 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.92 148.41 42.98 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -173.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 47.5 p -132.63 168.74 17.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 111.238 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . 0.412 ' NZ ' ' OE2' ' C' ' 83' ' ' GLU . 66.1 tttm -54.1 -45.97 71.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 173.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.17 -46.66 95.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.219 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.62 -42.53 97.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.87 -46.02 85.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.229 176.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . 0.412 ' OE2' ' NZ ' ' C' ' 79' ' ' LYS . 97.1 mt-10 -61.35 -41.84 97.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.194 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 37.6 mmt -62.74 -43.01 99.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -57.0 -47.75 80.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.1 -40.84 87.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.225 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.5 -41.63 88.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.215 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.49 -40.74 97.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.237 178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.28 -50.02 73.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 176.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.51 -34.47 75.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.26 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 tp -49.42 -39.32 32.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.219 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -56.06 -28.5 57.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -63.7 -22.51 66.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 98.0 p -108.19 2.88 23.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.24 -173.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 67.8 mt -95.15 146.24 24.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.252 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.64 133.46 55.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 166.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -164.03 150.38 11.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 -171.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.972 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.532 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.614 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.7 t -145.38 106.66 4.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 111.23 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -169.13 167.38 10.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.193 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 58.9 ttm -87.6 129.35 35.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.208 168.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.5 -152.63 24.38 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -176.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.4 p -113.55 -14.72 12.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.345 . . . . 0.0 111.219 -178.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.29 -47.65 72.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.209 178.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.75 -38.51 81.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.11 -39.8 94.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.248 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -62.21 -39.67 93.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -64.07 -40.33 96.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.154 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -63.34 -38.29 90.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.07 -39.15 88.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.279 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.96 -36.62 84.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -66.24 -41.94 89.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.15 -39.65 93.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -60.78 -49.93 75.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 174.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -52.08 -50.01 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.195 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.12 -45.54 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.271 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.3 -46.69 82.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.211 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -59.63 -43.43 93.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.17 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.2 -37.79 86.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.249 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.6 -50.17 73.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.278 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.26 -41.05 94.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.231 -176.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.19 -39.19 92.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.176 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -146.92 84.95 7.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -55.25 136.16 72.2 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.785 1.657 . . . . 0.0 111.161 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.0 p -161.78 155.51 21.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.57 -38.23 77.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.215 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.08 -51.74 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.228 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.9 -34.5 76.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 -176.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.52 -48.35 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.268 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.24 -45.17 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -66.5 -35.64 80.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.25 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.7 -49.66 76.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.252 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.77 -44.96 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -50.22 -56.15 12.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 173.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.85 84.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -176.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.37 -47.04 91.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.51 -44.49 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.76 -40.82 98.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.201 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -63.16 -44.95 94.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -58.86 -41.11 86.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.72 -41.09 85.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.04 -39.91 90.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 178.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 91.8 mt -62.44 -47.76 91.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.214 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.0 -45.71 98.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -65.93 -35.71 81.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.87 -53.07 61.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 pt -70.97 -28.03 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 -175.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -62.05 -48.33 80.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.227 175.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.6 96.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.08 -44.26 94.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.207 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.06 -43.7 93.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -62.01 -41.26 97.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.251 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.95 -39.87 95.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 175.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.16 -37.82 88.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.08 80.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.27 -39.3 94.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.064 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.03 -41.13 91.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 175.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.75 -45.65 94.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.7 -43.83 90.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.285 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -57.56 -46.8 83.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.223 174.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.41 -39.44 83.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -59.09 -47.81 83.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 175.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.27 80.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.278 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.7 mt -60.13 -44.93 96.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.61 -44.3 99.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.56 -40.85 96.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.221 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.45 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.0 mt -59.28 -42.99 92.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.231 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -63.21 -36.89 85.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.52 91.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.7 pt -106.52 -23.14 4.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 -169.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.44 22.96 4.1 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -174.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.64 146.31 38.23 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.6 -19.36 52.81 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 88.5 m -62.06 130.31 44.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 111.231 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.88 -42.86 72.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.23 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.3 mm -57.71 -41.54 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.231 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.5 -36.61 79.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.261 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -61.1 -36.06 78.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.32 -36.31 58.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 82.9 mtp -61.06 -29.07 69.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.14 -25.99 62.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.259 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -75.31 -44.09 47.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.155 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.2 -30.65 71.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.199 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.522 ' O ' HD23 ' A' ' 88' ' ' LEU . 10.3 tt -57.83 -29.11 64.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.249 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.08 -45.28 92.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.88 -35.94 72.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.177 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.03 -51.54 69.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.285 175.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.86 -37.66 77.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 -176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.26 -22.71 66.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -175.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.3 m -76.8 -2.16 31.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -176.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 93.4 mt -82.49 -7.25 59.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.222 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.41 132.44 52.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.249 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -100.9 156.45 17.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.218 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.944 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 176.807 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -145.3 106.69 4.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.209 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -169.22 167.29 10.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.204 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 58.9 ttm -87.55 129.33 35.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 168.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.51 -152.61 24.35 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 67.0 p -113.58 -14.7 12.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 111.133 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.26 -47.64 72.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.248 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.77 -38.58 82.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.06 -39.85 94.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -62.18 -39.76 93.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -63.96 -40.34 96.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.976 0.417 . . . . 0.0 111.224 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -63.37 -38.27 90.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.09 -39.23 89.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.208 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.93 -36.55 84.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -66.31 -41.93 88.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.2 175.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.17 -39.62 93.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -60.77 -49.91 75.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.207 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -52.11 -50.02 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.03 -45.61 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.279 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 56.7 tp -57.31 -46.63 83.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 -177.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.73 -43.32 94.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.229 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.26 -37.78 86.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.223 176.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.63 -50.21 73.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.298 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.14 -41.14 95.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.263 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.07 -39.32 93.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.188 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -146.83 84.91 7.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.185 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -55.24 136.15 72.16 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.679 1.586 . . . . 0.0 111.204 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 95.6 p -161.75 155.59 21.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.2 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.54 -38.34 77.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.94 -51.86 67.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.91 -34.43 76.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -63.56 -48.4 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.234 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.11 -45.3 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.43 -35.59 80.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.82 -49.64 76.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.21 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.75 -44.99 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -50.23 -56.17 12.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.97 84.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.0 mt -64.29 -47.11 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.191 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.43 -44.5 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.243 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.76 -40.85 98.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.201 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -63.09 -44.96 94.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -58.77 -41.25 86.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.64 -41.11 85.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.216 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -66.11 -39.83 90.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.49 -47.79 91.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.158 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.01 -45.59 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.202 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -66.05 -35.7 81.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.09 61.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 pt -71.04 -27.88 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.216 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -62.18 -48.27 80.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.238 175.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.66 96.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 176.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.09 -44.3 94.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.07 -43.7 93.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.204 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -61.89 -41.37 97.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.312 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.84 -39.81 95.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.286 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.31 -37.7 88.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.04 -39.06 80.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.231 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.3 -39.25 94.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.95 -41.12 91.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.73 -45.65 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.22 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -58.68 -43.85 90.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.273 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -57.56 -46.82 83.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 174.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -59.39 -39.5 83.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -58.96 -47.79 83.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.271 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.19 81.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.219 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 67.4 mt -60.12 -44.96 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.66 -44.23 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.175 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.54 -40.82 96.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.236 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.49 -42.47 98.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 52.3 mt -59.23 -43.05 92.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -63.19 -36.88 85.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.83 -38.55 91.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.227 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 39.2 pt -106.43 -23.24 4.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 -169.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.38 22.95 4.11 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.53 146.29 37.85 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -175.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.5 -19.27 53.28 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 88.7 m -62.12 130.28 44.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.795 0.331 . . . . 0.0 111.271 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.8 -43.03 72.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 42.1 mm -57.6 -41.58 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.19 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.48 -36.66 79.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.23 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.01 -36.15 78.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.3 -36.32 58.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 176.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 82.8 mtp -61.02 -29.05 69.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -58.18 -26.0 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.188 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -75.21 -44.2 47.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.219 174.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.16 -30.62 71.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.208 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.525 HD23 ' O ' ' B' ' 88' ' ' LEU . 10.3 tt -57.83 -29.12 64.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.303 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.07 -45.33 92.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.144 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.89 -35.93 72.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 56.5 tp -58.04 -51.48 69.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.93 -37.63 77.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.3 -22.72 66.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 -175.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 75.1 m -76.75 -2.16 31.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -176.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 93.5 mt -82.47 -7.32 59.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.235 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.4 132.45 52.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.239 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -100.98 156.5 17.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.935 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 176.889 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 46.0 t -145.25 106.68 4.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 111.289 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -169.2 167.32 10.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.222 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 58.9 ttm -87.64 129.39 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.204 168.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.51 -152.63 24.37 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -176.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.3 p -113.5 -14.75 12.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.34 . . . . 0.0 111.24 -178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.13 -47.74 71.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.224 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.76 -38.55 82.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.09 -39.79 94.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -62.25 -39.66 93.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -64.14 -40.18 95.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.22 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -63.44 -38.25 90.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.08 -39.2 88.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.02 -36.49 84.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -66.26 -41.96 89.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.247 175.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.17 -39.7 93.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -60.76 -49.83 75.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -52.24 -49.93 63.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.05 -45.66 83.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.206 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.36 -46.57 83.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.72 -43.25 94.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.265 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.31 -37.76 86.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.193 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.72 -50.21 73.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.237 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.09 -41.17 95.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.1 -39.2 92.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -146.95 84.86 7.25 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -55.24 136.18 72.24 Favored 'Trans proline' 0 C--N 1.327 -0.57 0 C-N-CA 121.688 1.592 . . . . 0.0 111.193 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 95.4 p -161.83 155.6 21.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.58 -38.23 77.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.251 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.05 -51.81 68.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.162 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.89 -34.5 76.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 80.2 mt -63.53 -48.41 87.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.23 -45.11 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -66.52 -35.61 80.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.266 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.6 76.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.28 173.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.78 -45.02 98.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -50.18 -56.08 12.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.29 173.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.93 84.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 -176.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.37 -47.02 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.23 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.42 -44.6 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.68 -40.82 98.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.26 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -63.16 -44.97 93.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -58.72 -41.15 85.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.67 -41.19 85.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.21 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.02 -39.82 90.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 91.9 mt -62.45 -47.84 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.88 -45.68 98.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.265 -178.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.09 -35.66 81.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.09 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.88 -53.02 62.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.226 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 41.1 pt -71.06 -27.9 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -62.27 -48.21 80.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.164 175.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.63 96.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.0 -44.33 94.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.01 -43.78 93.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.203 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -61.92 -41.33 97.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.256 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.81 -39.95 95.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 175.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.16 -37.7 88.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.04 80.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.31 -39.28 94.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.87 -41.24 91.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.208 175.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 51.7 t -59.68 -45.63 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.7 -43.92 90.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.273 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -57.53 -46.85 83.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.241 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.29 -39.48 83.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.268 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -59.07 -47.72 84.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.247 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.09 80.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.367 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.23 -44.9 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.121 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.72 -44.17 99.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.198 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.57 -40.85 96.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.38 98.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 52.7 mt -59.25 -43.05 92.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.189 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -63.32 -36.78 84.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.52 91.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 39.4 pt -106.53 -23.12 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.173 -169.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.42 22.95 4.1 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.61 146.38 38.0 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.5 -19.37 52.88 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 88.8 m -62.07 130.4 45.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.84 0.352 . . . . 0.0 111.179 177.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.99 -42.92 73.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.141 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 42.3 mm -57.58 -41.6 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.233 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.45 -36.65 79.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.265 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.01 -36.14 78.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.28 -36.38 58.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 176.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 83.0 mtp -60.98 -29.07 69.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -58.18 -25.99 62.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -75.14 -44.26 47.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.12 -30.64 71.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 88' ' ' LEU . . . . . 0.503 ' O ' HD23 ' C' ' 88' ' ' LEU . 10.3 tt -57.88 -29.07 64.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.237 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.12 -45.29 92.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.79 -35.94 72.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.213 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.03 -51.57 69.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.223 175.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.81 -37.7 76.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.228 -176.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.28 -22.63 66.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -175.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 75.2 m -76.85 -2.13 31.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 93.1 mt -82.59 -7.21 59.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -62.44 132.44 52.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -100.92 156.49 17.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.236 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.949 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 176.857 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.9 p -65.04 -18.98 65.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.788 0.328 . . . . 0.0 111.201 -173.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -114.34 22.55 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.2 ttt -65.52 145.55 55.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.26 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.02 -152.89 29.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.9 p -115.34 -23.96 8.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 111.193 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -87.4 -6.9 58.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.225 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -58.69 -38.55 78.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.02 -40.97 99.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -61.79 -48.37 80.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.248 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -62.97 -38.45 91.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -62.37 -42.41 99.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.229 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.04 -39.55 92.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.183 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.66 -39.62 94.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.166 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -68.98 -38.0 79.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.223 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.38 -41.3 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.39 -49.81 76.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 173.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -53.42 -50.11 65.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.64 -45.15 89.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.52 -47.48 81.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.78 -42.3 93.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.24 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.38 -38.37 87.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.73 -49.97 74.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.221 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.31 -41.16 96.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.95 -42.33 76.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -138.11 80.63 28.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -54.28 135.49 65.27 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.736 1.624 . . . . 0.0 111.2 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.1 p -163.17 156.19 19.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.47 -38.4 77.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.199 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.09 -52.5 65.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -67.06 -34.1 76.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.277 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -63.61 -48.97 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.1 t -64.34 -44.13 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.64 -37.94 89.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.08 -49.22 78.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 174.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.81 -44.68 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.179 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -53.1 -54.63 32.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.67 -37.54 81.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -64.47 -47.16 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.87 -43.65 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.19 -41.91 98.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -63.0 -43.61 98.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -59.07 -41.65 88.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.197 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.01 91.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.202 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -64.71 -41.52 95.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.64 -50.47 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.01 -42.71 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.181 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -59.26 -48.17 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.24 -41.48 93.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.0 mt -61.26 -41.23 88.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -47.82 -52.38 19.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.212 173.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.61 85.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.78 -44.29 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.91 -42.58 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.34 -41.22 96.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.05 -48.63 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 172.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.28 -38.28 83.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.211 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.16 95.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -64.59 -37.63 88.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.247 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.449 HG23 HD21 ' C' ' 64' ' ' ASN . 79.9 mt -62.21 -43.46 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.23 -44.36 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.1 -36.93 85.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.213 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.64 -43.93 95.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.205 175.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.438 HD21 HG23 ' B' ' 60' ' ' ILE . 93.6 m-20 -56.33 -45.89 80.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 176.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -55.62 -50.87 68.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.09 -39.49 82.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.93 -46.96 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.18 -42.96 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.225 -178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.64 -43.7 98.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 176.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.24 94.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.226 174.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.54 -49.66 76.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.32 -41.57 89.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.32 -36.18 72.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 -175.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 pt -101.91 5.85 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.209 -178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.23 -118.47 1.99 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 -173.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.36 -177.25 45.21 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.63 126.6 9.96 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.1 p -134.29 162.29 32.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.153 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' NZ ' ' OE2' ' A' ' 83' ' ' GLU . 65.3 tttm -55.52 -44.85 77.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 172.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.44 -42.54 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.72 -49.12 66.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.235 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.11 -46.99 78.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' OE2' ' NZ ' ' A' ' 79' ' ' LYS . 97.8 mt-10 -62.28 -39.81 94.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 -178.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 72.3 mtm -64.17 -41.29 97.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.87 -33.44 75.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.235 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.63 -39.42 88.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 172.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -64.23 -35.57 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.7 mt -58.36 -39.36 79.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.26 177.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.52 -44.35 96.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.48 -42.08 96.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.47 -39.28 93.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -72.02 -45.58 60.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -60.89 -31.18 70.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.0 m -72.12 -9.29 58.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 88.4 mt -95.99 -3.5 44.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.216 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -67.17 145.69 55.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.173 -175.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -76.35 155.66 33.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.966 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.137 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.2 p -64.95 -18.93 65.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.81 0.338 . . . . 0.0 111.261 -173.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -114.47 22.61 13.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 22.2 ttt -65.5 145.5 56.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.96 -152.88 29.77 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 174.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 80.6 p -115.34 -23.97 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 111.165 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -87.37 -6.99 58.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.208 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.64 -38.55 78.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 -175.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.96 -41.0 99.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.219 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' B' ' 14' ' ' GLU . 64.4 tttm -61.74 -48.42 80.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -62.99 -38.43 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -62.37 -42.41 99.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.211 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.03 -39.55 92.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.205 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' B' ' 10' ' ' LYS . 98.5 mt-10 -62.71 -39.56 94.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 177.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -68.98 -38.05 79.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 177.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 61.5 mt -62.3 -41.3 98.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.236 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.44 -49.82 76.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -53.33 -50.2 65.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.6 -45.11 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.25 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.54 -47.46 81.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 -177.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.72 -42.38 92.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.38 -38.41 87.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 175.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.67 -50.03 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.25 -41.18 97.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.96 -42.32 76.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -138.05 80.6 29.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -54.25 135.53 65.29 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.719 1.613 . . . . 0.0 111.196 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.3 p -163.21 156.2 18.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.247 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.44 -38.39 77.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.186 177.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.18 -52.46 65.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -67.04 -34.12 77.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.264 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.63 -49.0 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.6 t -64.27 -44.18 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.65 -37.92 89.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.02 -49.22 78.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 174.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.83 -44.7 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -53.05 -54.6 33.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.57 82.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.4 -47.21 90.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.201 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.86 -43.62 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.12 -41.97 98.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.199 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -63.0 -43.55 98.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.206 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -59.16 -41.55 88.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 178.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.01 92.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.207 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -64.73 -41.48 95.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.56 -50.53 80.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.98 -42.71 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -59.28 -48.14 82.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.46 93.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.19 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 67.8 mt -61.27 -41.22 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -47.76 -52.42 18.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 173.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.57 85.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.78 -44.29 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.195 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.89 -42.66 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.24 -41.26 96.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.192 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.03 -48.61 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 172.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.37 -38.24 83.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.203 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.31 -42.14 94.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.248 177.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -64.7 -37.56 87.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.243 177.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . 0.438 HG23 HD21 ' A' ' 64' ' ' ASN . 80.1 mt -62.23 -43.45 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.13 -44.43 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.08 -36.97 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.197 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.65 -43.84 95.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.236 175.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.44 HD21 HG23 ' C' ' 60' ' ' ILE . 93.6 m-20 -56.39 -45.89 80.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 176.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -55.6 -50.9 68.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 176.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.46 82.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.154 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.97 -46.97 92.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.11 -43.0 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.198 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.64 -43.63 98.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.22 -39.3 94.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.52 -49.64 76.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.36 -41.5 89.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.19 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.38 -36.2 73.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 -175.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 pt -101.88 5.87 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.229 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.23 -118.47 1.99 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -173.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.36 -177.23 45.2 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.62 126.54 9.94 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 60.7 p -134.28 162.29 32.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.356 . . . . 0.0 111.146 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . 0.434 ' NZ ' ' OE2' ' B' ' 83' ' ' GLU . 65.3 tttm -55.48 -44.82 76.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.227 172.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.48 -42.59 96.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 58.1 tp -52.7 -49.08 66.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.272 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.18 -46.98 79.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.434 ' OE2' ' NZ ' ' B' ' 79' ' ' LYS . 97.8 mt-10 -62.29 -39.79 94.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.235 -178.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 72.3 mtm -64.16 -41.21 97.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.91 -33.46 75.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.217 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.57 -39.45 88.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 172.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.2 -35.56 81.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.45 -39.34 79.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.51 -44.29 96.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.215 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.56 -42.06 95.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.46 -39.25 93.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.189 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -72.13 -45.49 60.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -60.93 -31.18 70.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 73.0 m -72.18 -9.2 58.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -176.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 88.4 mt -96.0 -3.56 44.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.229 -178.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -67.19 145.7 54.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.219 -175.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -76.32 155.7 34.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.213 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.961 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 177.144 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -64.95 -18.99 65.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.222 -173.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -114.38 22.55 13.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 22.2 ttt -65.49 145.5 56.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.228 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.02 -152.89 29.8 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 174.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 80.6 p -115.32 -23.97 8.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.746 0.308 . . . . 0.0 111.187 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -87.39 -6.98 58.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.65 -38.6 78.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -175.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.91 -41.02 99.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . 0.424 ' NZ ' ' OE2' ' C' ' 14' ' ' GLU . 64.4 tttm -61.81 -48.37 80.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.213 178.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -62.91 -38.48 91.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -62.39 -42.42 99.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.219 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.96 -39.6 92.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.226 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . 0.424 ' OE2' ' NZ ' ' C' ' 10' ' ' LYS . 98.5 mt-10 -62.6 -39.65 94.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.173 177.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -68.96 -38.12 79.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.3 -41.33 98.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.39 -49.82 76.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.23 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -53.4 -50.08 65.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.197 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.73 -45.09 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 58.1 tp -57.53 -47.43 82.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.207 -177.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.79 -42.35 93.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.4 -38.37 87.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.74 -50.03 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.25 -41.16 97.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.174 -175.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.96 -42.34 76.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -138.07 80.61 28.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -54.29 135.52 65.46 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.741 1.628 . . . . 0.0 111.208 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -163.2 156.18 19.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.43 -38.39 77.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.202 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.2 -52.41 65.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -67.07 -34.13 76.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.261 -176.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.62 -48.98 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.27 -44.18 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.215 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.68 -37.87 89.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.07 -49.22 78.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.82 -44.66 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -53.17 -54.55 34.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.59 82.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.37 -47.22 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.86 -43.64 96.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.17 -41.88 98.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -63.03 -43.59 98.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -59.1 -41.58 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.241 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.0 91.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.228 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -64.75 -41.53 95.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.55 -50.54 79.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.251 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 79.4 t -63.91 -42.76 96.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.218 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -59.23 -48.18 82.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.46 93.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 67.9 mt -61.19 -41.3 89.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -47.69 -52.43 18.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.258 173.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.66 -38.68 85.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 91.2 mt -64.73 -44.29 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.88 -42.65 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.27 -41.22 96.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.221 177.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.09 -48.61 79.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 172.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.33 -38.24 83.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.23 95.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.172 177.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -64.56 -37.59 88.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.264 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . 0.44 HG23 HD21 ' B' ' 64' ' ' ASN . 79.7 mt -62.29 -43.42 98.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 178.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.2 -44.36 98.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.09 -36.94 85.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.252 177.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.63 -43.91 95.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.218 175.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' ASN . . . . . 0.449 HD21 HG23 ' A' ' 60' ' ' ILE . 93.5 m-20 -56.35 -45.91 80.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 176.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -55.61 -50.91 68.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.01 -39.55 82.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.92 -46.97 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.14 -43.05 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.62 -43.64 98.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.29 94.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.227 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.49 -49.62 76.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.39 -41.51 89.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.34 -36.22 73.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 -175.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 pt -101.9 5.85 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.21 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.22 -118.4 1.99 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -173.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.43 -177.21 45.25 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.66 126.58 9.93 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 60.9 p -134.29 162.29 32.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.125 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . 0.408 ' NZ ' ' OE2' ' C' ' 83' ' ' GLU . 65.3 tttm -55.49 -44.83 76.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.27 172.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.47 -42.52 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.76 -49.09 66.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -56.11 -46.98 78.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . 0.408 ' OE2' ' NZ ' ' C' ' 79' ' ' LYS . 97.8 mt-10 -62.33 -39.75 94.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.208 -178.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 72.3 mtm -64.2 -41.25 97.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -178.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.88 -33.45 75.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.259 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.6 -39.49 88.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.17 172.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.16 -35.55 81.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.41 -39.35 79.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.212 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.56 -44.28 96.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.52 -42.06 96.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.5 -39.26 93.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -72.07 -45.5 60.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -60.97 -31.13 70.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 73.0 m -72.13 -9.19 58.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.243 -176.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 88.4 mt -96.06 -3.49 44.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.195 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -67.23 145.68 54.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.206 -175.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -76.27 155.71 34.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.221 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.988 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 177.135 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.556 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.9 p -73.29 -8.7 56.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 0.0 111.263 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -75.98 -11.18 59.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.189 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 96.5 mtp -60.42 140.73 57.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.76 -159.27 34.3 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -176.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.5 m -64.23 -53.29 51.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.198 -170.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -96.08 3.61 53.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 -167.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -76.09 -9.37 58.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.219 -174.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.73 -11.93 52.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.203 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.48 ' NZ ' ' OE2' ' A' ' 14' ' ' GLU . 65.3 tttm -67.66 -49.97 60.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -170.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -58.27 -33.67 69.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -174.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.8 m -66.04 -40.3 90.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.99 -39.31 94.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.312 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.48 ' OE2' ' NZ ' ' A' ' 10' ' ' LYS . 99.0 mt-10 -62.66 -43.09 99.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.247 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.79 -40.5 92.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 176.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.0 -44.12 96.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.223 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -56.59 -48.58 77.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.224 176.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.8 -44.81 70.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.212 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.62 -44.41 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.81 -48.3 75.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.26 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.32 -41.67 89.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -64.38 -39.23 93.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.93 -50.09 74.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.186 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.33 -40.94 94.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 -175.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.12 -39.06 92.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -146.41 84.11 8.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -55.2 135.43 68.9 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.691 1.594 . . . . 0.0 111.196 -178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.5 p -162.48 156.85 21.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.172 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.17 -38.12 76.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.237 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.6 -52.51 65.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -67.22 -33.03 74.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.258 -175.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.83 -49.02 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.203 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.9 t -65.21 -43.24 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -64.79 -38.71 91.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.6 -48.21 81.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 174.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.54 -45.93 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.253 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -54.76 -51.3 66.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.181 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.21 89.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.244 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.7 mt -61.9 -43.24 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.93 -43.1 95.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.3 -39.0 88.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -65.25 -47.5 76.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -56.05 -42.57 76.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.46 77.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.19 -38.15 89.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.232 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.47 -47.86 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.7 t -62.14 -44.39 98.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.99 -40.6 89.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.214 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.6 94.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.5 mt -62.55 -42.99 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -59.52 -38.36 80.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.82 -54.72 23.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.3 pt -70.56 -28.9 36.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -167.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.28 -34.51 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.207 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -69.61 -36.37 76.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 173.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.83 -38.55 91.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.176 173.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.5 -40.9 93.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 176.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.5 -39.36 87.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.248 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.24 -38.43 90.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.186 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.1 mt -61.8 -43.74 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.3 t -60.59 -44.51 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.26 175.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -61.74 -40.02 93.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.01 -42.76 99.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.1 -40.76 94.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -59.62 -44.45 93.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.285 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.65 89.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.206 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.54 -46.76 95.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.87 -45.18 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.233 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.8 -41.44 67.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.13 97.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.183 174.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.75 -31.93 72.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -57.5 -27.46 62.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.94 -32.19 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.454 ' C ' HD12 ' A' ' 74' ' ' ILE . 2.9 pp -121.51 -3.31 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -175.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.46 -24.36 7.51 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.22 144.92 48.7 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -174.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.92 -13.31 66.3 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 54.7 p -123.02 173.8 7.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.214 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -59.38 -32.8 70.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 -169.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 17.3 tt -56.54 -25.32 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.56 -45.33 94.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.44 -37.83 88.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -176.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -65.46 -39.85 92.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.99 -36.59 80.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.38 -42.17 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.253 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -64.02 -39.62 94.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.218 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -63.97 -39.08 93.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.23 -40.56 90.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.206 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.16 -43.49 95.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -62.19 -40.87 97.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.18 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.0 mt -61.73 -46.33 90.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.76 -39.65 81.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.32 -31.2 72.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 87.5 p -92.19 3.04 56.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.8 tp -85.6 119.1 25.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.231 -176.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -88.25 -5.42 58.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -79.46 132.57 36.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.032 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 178.15 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.576 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.2 p -73.24 -8.76 57.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 0.0 111.244 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -76.01 -11.11 59.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.188 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 96.6 mtp -60.51 140.81 57.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -176.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.86 -159.28 34.22 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 86.2 m -64.18 -53.32 51.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 111.215 -170.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -96.04 3.6 53.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 -167.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -76.08 -9.4 58.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 -174.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.2 mt -85.77 -11.9 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 174.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.475 ' NZ ' ' OE2' ' B' ' 14' ' ' GLU . 65.3 tttm -67.71 -49.94 60.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.21 -170.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -58.18 -33.79 69.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -174.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 73.6 m -66.03 -40.21 90.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.06 -39.27 94.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.256 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.475 ' OE2' ' NZ ' ' B' ' 10' ' ' LYS . 99.0 mt-10 -62.71 -43.08 99.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.79 -40.47 91.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 176.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 46.8 tp -63.04 -44.07 96.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -56.56 -48.66 76.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.79 -44.69 70.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.267 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.66 -44.43 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 59.0 tp -55.79 -48.33 75.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.27 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.28 -41.72 89.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.183 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -64.28 -39.32 93.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.288 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.92 -50.07 74.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.196 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.41 -40.91 93.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.06 -39.08 92.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.253 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -146.43 84.15 7.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -55.22 135.43 68.9 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.647 1.565 . . . . 0.0 111.235 -178.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 94.1 p -162.43 156.89 21.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.27 -38.14 76.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.62 -52.43 65.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -67.33 -32.93 74.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.24 -175.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.86 -48.95 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 64.9 t -65.27 -43.26 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -64.77 -38.77 92.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.25 81.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.165 174.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.44 -45.95 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.268 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -54.84 -51.29 66.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.15 89.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.231 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.88 -43.27 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.9 -43.07 94.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.28 -39.03 88.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.213 176.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -65.22 -47.55 76.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 177.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -56.02 -42.6 76.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.214 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.22 -49.43 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -65.18 -38.17 89.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.48 -47.82 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 50.0 t -62.17 -44.32 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.271 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.99 -40.64 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.55 94.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.211 175.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.61 -42.94 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.202 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -59.54 -38.32 80.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.213 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.81 -54.76 22.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 31.2 pt -70.42 -28.99 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 -167.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.23 -34.5 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.235 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -69.56 -36.47 76.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 173.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.71 -38.6 91.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.257 173.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.44 -40.85 92.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.3 87.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.314 175.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.24 -38.45 90.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.23 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 85.2 mt -61.84 -43.68 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 56.6 t -60.63 -44.5 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.19 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.73 -40.0 93.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.26 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.0 -42.81 99.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.08 -40.8 95.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -59.64 -44.38 93.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.306 175.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.61 89.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.63 -46.63 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.88 -45.15 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.278 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.78 -41.5 67.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 178.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.19 97.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.203 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.74 -31.94 72.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.181 -176.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -57.57 -27.45 62.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.2 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.459 ' C ' HD12 ' B' ' 74' ' ' ILE . 2.9 pp -121.48 -3.31 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -175.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.52 -24.35 7.48 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.18 144.86 48.68 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -174.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.92 -13.23 66.43 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 55.2 p -123.03 173.89 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.769 0.319 . . . . 0.0 111.231 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -59.43 -32.88 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.225 -169.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 17.3 tt -56.44 -25.35 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.256 -176.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.51 -45.37 94.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.22 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.44 -37.87 88.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 -176.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -65.34 -39.79 92.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.254 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.98 -36.66 80.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.36 -42.18 90.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -64.05 -39.65 94.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -63.88 -39.14 93.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.26 -40.6 90.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.97 -43.62 95.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 177.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.24 -40.82 97.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 61.5 mt -61.69 -46.31 90.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.82 -39.65 81.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.234 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.25 -31.22 72.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 87.4 p -92.14 3.02 56.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.251 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 56.9 tp -85.61 119.14 25.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.216 -176.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -88.26 -5.46 58.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.229 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -79.4 132.58 36.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.241 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.01 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 178.196 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.601 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -73.25 -8.72 57.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 111.217 -176.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -76.02 -11.15 59.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 96.6 mtp -60.47 140.76 57.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.19 -176.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.83 -159.28 34.25 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 86.1 m -64.23 -53.3 51.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.74 0.305 . . . . 0.0 111.187 -170.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -96.04 3.62 53.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 -167.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -75.96 -9.53 58.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.253 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.65 -11.94 52.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.23 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . 0.487 ' NZ ' ' OE2' ' C' ' 14' ' ' GLU . 65.3 tttm -67.63 -50.01 60.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 -170.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -58.25 -33.69 69.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -174.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 73.5 m -66.11 -40.19 90.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.174 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.17 -39.2 93.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . 0.487 ' OE2' ' NZ ' ' C' ' 10' ' ' LYS . 99.0 mt-10 -62.68 -43.11 99.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.197 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.77 -40.57 92.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 176.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 46.9 tp -63.0 -44.11 96.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.213 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -56.6 -48.59 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.75 -44.82 70.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.258 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.53 -44.47 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.237 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.77 -48.33 75.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.272 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.32 -41.62 89.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -64.42 -39.2 93.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.252 176.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.0 -50.07 74.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.3 -40.94 94.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.196 -175.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.1 -39.04 92.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.263 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -146.46 84.16 7.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -55.21 135.33 68.47 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.745 1.63 . . . . 0.0 111.191 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 93.8 p -162.43 156.88 21.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.25 -38.15 76.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.63 -52.47 65.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -67.28 -32.96 74.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.268 -175.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 79.2 mt -62.8 -48.99 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.3 -43.23 95.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -64.74 -38.69 91.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.224 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.77 -48.06 82.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 174.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.61 -45.86 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.23 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -54.91 -51.16 66.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.17 90.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.261 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.91 -43.23 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 72.8 t -60.88 -43.11 94.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.29 -39.06 89.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -65.15 -47.55 76.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.246 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -55.97 -42.55 76.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.285 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.4 77.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.232 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.21 -38.14 89.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.238 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.46 -47.79 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.269 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 50.0 t -62.19 -44.39 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.97 -40.61 89.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.173 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.53 94.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.25 175.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 84.5 mt -62.6 -42.93 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.221 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -59.58 -38.28 80.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.85 -54.71 23.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.201 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 31.1 pt -70.56 -28.9 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -167.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.31 -34.52 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.239 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -69.53 -36.43 76.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 173.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.81 -38.55 91.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.176 173.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.49 -40.9 92.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.25 87.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.266 175.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.27 -38.49 90.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.198 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 85.3 mt -61.73 -43.71 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.208 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.66 -44.39 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.268 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.85 -40.02 93.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -62.99 -42.75 99.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -61.09 -40.81 95.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 176.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -59.66 -44.43 93.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.234 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.66 89.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.52 -46.74 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.87 -45.2 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.262 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.73 -41.41 67.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.179 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.85 -42.24 97.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.69 -31.92 72.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -57.61 -27.4 62.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.87 -32.26 70.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.206 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . 0.459 ' C ' HD12 ' C' ' 74' ' ' ILE . 2.9 pp -121.5 -3.31 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -175.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.51 -24.34 7.49 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.28 144.9 48.74 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -174.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.94 -13.36 66.22 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 55.6 p -122.99 173.88 7.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.752 0.311 . . . . 0.0 111.234 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -59.46 -32.71 70.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.22 -169.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 17.3 tt -56.61 -25.27 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.227 -176.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.55 -45.35 94.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.44 -37.9 89.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.215 -176.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -65.35 -39.86 92.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.94 -36.59 80.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.4 -42.23 91.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -64.03 -39.65 94.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.212 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.91 -39.18 93.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.14 -40.62 90.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.196 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.04 -43.57 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.24 -40.85 97.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 61.4 mt -61.64 -46.34 90.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.231 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.76 -39.7 81.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.35 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 87.3 p -92.16 2.97 56.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 56.9 tp -85.57 119.13 25.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.205 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -88.25 -5.43 58.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.254 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -79.4 132.57 36.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.018 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.175 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.609 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -78.89 -16.74 56.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.232 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -135.03 148.42 49.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 61.2 ttp -81.94 73.22 8.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.187 -172.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.62 -148.67 50.59 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 166.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.5 m -67.69 -37.88 82.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.834 0.35 . . . . 0.0 111.218 -168.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -55.85 -53.45 56.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -175.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -66.3 -35.28 79.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.2 tp -55.43 -49.88 71.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.287 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' NZ ' ' OE2' ' A' ' 14' ' ' GLU . 65.5 tttm -54.57 -49.1 71.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.176 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -59.27 -41.78 89.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 -178.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -63.33 -41.52 98.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.23 -30.07 63.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' OE2' ' NZ ' ' A' ' 10' ' ' LYS . 97.1 mt-10 -62.18 -41.19 98.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 170.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -70.43 -34.59 72.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.225 175.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 tp -55.06 -45.15 75.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -59.95 -45.97 90.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.21 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.88 -45.13 86.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.255 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.12 -47.28 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.2 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.0 tp -54.44 -54.25 43.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 176.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.7 -37.91 80.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -173.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -67.84 -43.38 79.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.44 -29.22 63.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 -175.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -63.0 -19.41 64.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.276 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.53 -25.31 67.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -153.48 83.89 4.4 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -74.42 61.1 5.1 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.696 1.598 . . . . 0.0 111.233 -171.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -77.25 165.16 24.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.231 170.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.25 -39.31 66.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.84 -49.41 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.429 ' OE1' ' HA ' ' A' ' 31' ' ' GLN . 9.2 mm100 -70.16 -35.46 74.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.154 -175.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.3 mt -65.74 -51.32 63.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 -178.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.6 p -66.68 -27.46 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -62.79 -42.62 99.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.231 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.42 86.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.95 -44.66 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -52.46 -48.83 65.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.41 -40.04 81.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.207 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.3 mt -65.46 -46.64 89.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.88 -45.32 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.202 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.83 -37.92 87.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -69.25 -32.64 71.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.187 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -61.88 -36.6 81.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.7 -36.17 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -67.93 -33.91 75.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.198 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.93 -51.99 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.51 -29.85 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.239 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -63.4 -43.23 98.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.209 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.78 -49.05 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 173.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.0 mt -56.84 -44.52 82.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.235 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -50.34 -50.45 51.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.202 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.15 82.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.25 -43.36 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.267 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.91 -44.34 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -64.61 -39.21 93.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.22 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.91 -40.79 98.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 175.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.66 -38.0 83.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.214 176.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.64 87.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.215 176.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.68 -38.4 89.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.36 -42.58 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.192 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.37 -44.25 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 76.0 mm-40 -64.68 -36.88 85.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 177.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.39 -45.63 92.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 174.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.6 -41.6 86.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -57.43 -53.22 60.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 174.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.38 83.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.238 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.59 -47.81 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.253 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.5 -45.13 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -62.42 -46.35 88.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.265 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.03 93.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.0 tp -60.68 -46.99 88.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.167 -176.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.07 -43.0 99.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 174.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.34 -38.47 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.227 -172.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.509 ' C ' HD12 ' A' ' 74' ' ' ILE . 2.7 pp -96.35 3.53 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -174.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.6 -137.56 4.06 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.46 -165.97 10.88 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.53 143.56 35.69 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.515 HG22 ' H ' ' A' ' 80' ' ' ILE . 40.5 m -154.18 136.24 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 111.129 176.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.473 ' NZ ' ' OE2' ' A' ' 83' ' ' GLU . 64.9 tttm -52.07 -41.24 62.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.225 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.515 ' H ' HG22 ' A' ' 78' ' ' THR . 96.3 mt -61.15 -39.59 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.218 -176.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.1 mt -55.73 -46.1 77.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.74 -37.35 84.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.204 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.473 ' OE2' ' NZ ' ' A' ' 79' ' ' LYS . 98.7 mt-10 -63.54 -40.25 96.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 177.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 73.9 mtm -66.13 -37.01 84.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.21 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -61.36 -37.46 83.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -67.22 -52.85 36.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.231 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.99 -36.08 82.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.8 tp -56.2 -51.96 66.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.4 -45.13 94.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.185 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -64.04 -37.27 86.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.69 -46.64 87.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.231 172.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.438 ' NZ ' ' OE2' ' A' ' 62' ' ' GLU . 60.2 tttp -56.57 -34.34 67.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 -177.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -54.17 -34.68 61.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.237 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.4 p -72.98 -14.3 61.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -170.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.25 -19.17 64.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -174.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -85.65 -1.57 57.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 -178.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -118.78 -41.0 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.007 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -178.489 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.549 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -78.94 -16.73 56.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 111.219 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -134.99 148.53 50.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 61.3 ttp -82.12 73.25 9.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -171.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.63 -148.68 50.6 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 166.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 90.9 m -67.73 -37.87 82.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 0.0 111.231 -168.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -55.85 -53.43 56.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.195 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.27 -35.24 79.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 43.9 tp -55.52 -49.97 71.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 174.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.449 ' NZ ' ' OE2' ' B' ' 14' ' ' GLU . 65.5 tttm -54.45 -49.11 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -59.29 -41.8 89.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -63.38 -41.4 98.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.209 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 88.4 mt -73.26 -29.99 63.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.22 -176.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.449 ' OE2' ' NZ ' ' B' ' 10' ' ' LYS . 97.1 mt-10 -62.21 -41.16 98.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.181 170.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.4 mmt180 -70.51 -34.57 72.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 175.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 tp -55.14 -45.12 75.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -59.91 -46.05 90.59 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.79 -45.23 86.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.252 175.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.01 -47.37 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 tp -54.39 -54.28 42.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.67 -37.93 80.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -67.82 -43.37 79.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.43 -29.26 63.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -175.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -63.01 -19.4 64.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.234 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.61 -25.22 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.205 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -153.46 83.86 4.41 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 178.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -74.4 61.08 5.08 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.705 1.604 . . . . 0.0 111.242 -171.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 82.9 p -77.16 165.08 25.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.245 170.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.25 -39.19 66.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.31 178.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.85 -49.47 72.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.422 ' HA ' ' OE1' ' B' ' 31' ' ' GLN . 9.2 mm100 -70.06 -35.57 74.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.173 -175.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 84.4 mt -65.65 -51.31 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.271 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.68 -27.46 40.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -177.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -62.91 -42.58 99.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 175.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.4 86.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 175.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.96 -44.62 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -52.61 -48.7 66.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.48 -40.04 81.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.4 -46.69 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -58.86 -45.29 91.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.24 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.8 -37.98 87.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -69.22 -32.73 72.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -61.81 -36.55 81.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.275 176.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.13 78.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.199 173.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -67.92 -34.03 75.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.82 -51.99 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.58 -29.81 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.233 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -63.37 -43.28 98.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 174.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 -49.05 76.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.186 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 87.7 mt -56.92 -44.41 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -50.43 -50.45 52.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.222 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.04 82.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.236 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.33 -43.37 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.228 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 56.6 t -60.89 -44.31 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -64.68 -39.27 93.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.207 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.81 -40.75 98.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 175.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.8 -37.9 83.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.6 87.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.24 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.71 -38.37 89.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 177.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.39 -42.53 96.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.255 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.37 -44.34 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.455 ' OE2' ' NZ ' ' B' ' 92' ' ' LYS . 76.1 mm-40 -64.6 -36.83 85.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.274 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.46 -45.48 92.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 174.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -58.8 -41.51 86.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -57.4 -53.21 60.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.168 174.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.42 83.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.56 -47.84 91.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.47 -45.06 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.234 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.49 -46.39 88.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.253 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.03 93.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.7 tp -60.59 -47.05 87.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.265 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.04 -42.95 99.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 173.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.55 80.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -172.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.5 ' C ' HD12 ' B' ' 74' ' ' ILE . 2.7 pp -96.32 3.5 9.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 -174.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.6 -137.59 4.06 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -177.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.43 -165.98 10.89 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.45 143.54 35.78 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.515 HG22 ' H ' ' B' ' 80' ' ' ILE . 40.4 m -154.17 136.18 14.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 111.162 176.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . 0.487 ' NZ ' ' OE2' ' B' ' 83' ' ' GLU . 64.9 tttm -51.94 -41.31 61.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.264 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . 0.515 ' H ' HG22 ' B' ' 78' ' ' THR . 96.3 mt -61.18 -39.57 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.272 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 45.4 mt -55.67 -46.16 77.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -66.65 -37.42 84.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.487 ' OE2' ' NZ ' ' B' ' 79' ' ' LYS . 98.7 mt-10 -63.49 -40.28 96.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.292 176.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 74.0 mtm -66.11 -36.99 84.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.254 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.35 -37.48 83.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.159 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -67.17 -53.04 34.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.89 -35.95 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.23 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 45.6 tp -56.36 -51.95 66.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.217 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.22 -45.27 94.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -64.03 -37.19 86.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.215 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.82 -46.66 86.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.07 172.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.455 ' NZ ' ' OE2' ' B' ' 62' ' ' GLU . 60.2 tttp -56.48 -34.47 66.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -177.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -54.15 -34.67 60.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 67.8 p -72.96 -14.26 61.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 -170.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.29 -19.16 64.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 -174.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -85.65 -1.59 57.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.194 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -118.75 -40.94 2.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.977 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.463 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p -78.95 -16.75 56.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.383 . . . . 0.0 111.208 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -134.95 148.48 50.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.154 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 61.1 ttp -82.05 73.21 9.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.174 -172.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.65 -148.72 50.61 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 166.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 91.0 m -67.74 -37.88 82.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.361 . . . . 0.0 111.191 -168.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -55.77 -53.51 55.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -175.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.25 -35.24 79.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 44.2 tp -55.5 -49.93 71.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 174.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . 0.448 ' NZ ' ' OE2' ' C' ' 14' ' ' GLU . 65.6 tttm -54.64 -49.01 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -59.35 -41.73 89.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 68.8 m -63.39 -41.44 98.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.141 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.32 -30.03 63.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . 0.448 ' OE2' ' NZ ' ' C' ' 10' ' ' LYS . 97.1 mt-10 -62.1 -41.26 98.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 170.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -70.39 -34.62 72.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.231 175.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 66.2 tp -55.11 -45.04 75.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -60.02 -45.97 91.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.86 -45.23 86.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.257 175.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.91 -47.39 89.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.265 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 52.8 tp -54.37 -54.26 42.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.272 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.69 -37.93 80.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.206 -173.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -67.83 -43.36 79.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.43 -29.27 63.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -175.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -63.07 -19.35 64.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.61 -25.2 67.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -153.51 83.84 4.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -74.4 61.07 5.07 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.743 1.629 . . . . 0.0 111.232 -171.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 82.9 p -77.21 165.12 24.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 170.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.19 -39.27 66.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.285 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.87 -49.45 72.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.198 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' C' ' 31' ' ' GLN . 9.2 mm100 -70.18 -35.38 73.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.199 -175.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.74 -51.38 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.62 -27.45 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -62.9 -42.63 99.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.194 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.37 86.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 175.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.05 -44.64 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -52.49 -48.78 65.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.05 81.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.243 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 89.4 mt -65.41 -46.68 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.168 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.8 -45.39 91.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.243 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.75 -37.94 87.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -69.3 -32.68 71.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -61.89 -36.5 81.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.71 -36.21 78.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 173.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -67.91 -33.94 75.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.218 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.89 -52.05 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.217 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -66.56 -29.83 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.4 -43.21 98.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.219 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.98 76.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 87.9 mt -56.89 -44.49 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -50.29 -50.52 50.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.71 -40.08 82.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.29 -43.32 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.275 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.88 -44.38 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -64.59 -39.26 93.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.83 -40.76 98.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 175.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.67 -37.97 83.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.278 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.54 87.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.219 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.76 -38.34 88.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.211 177.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.45 -42.54 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.37 -44.23 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.219 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . 0.439 ' OE2' ' NZ ' ' C' ' 92' ' ' LYS . 76.1 mm-40 -64.65 -36.97 85.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 177.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -62.33 -45.6 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 174.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.69 -41.54 86.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.246 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -57.34 -53.24 60.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.39 -38.4 83.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -177.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 86.3 mt -62.53 -47.88 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.46 -45.11 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.192 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.41 -46.43 88.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.233 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.1 93.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 42.7 tp -60.57 -47.01 88.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.307 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.01 -42.96 99.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 173.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.37 -38.49 80.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -172.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . 0.505 ' C ' HD12 ' C' ' 74' ' ' ILE . 2.7 pp -96.34 3.46 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 -174.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.61 -137.59 4.06 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.4 -165.86 10.86 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.55 143.55 35.64 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.508 HG22 ' H ' ' C' ' 80' ' ' ILE . 40.8 m -154.2 136.15 14.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.173 176.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . 0.461 ' NZ ' ' OE2' ' C' ' 83' ' ' GLU . 64.9 tttm -51.9 -41.38 61.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 80' ' ' ILE . . . . . 0.508 ' H ' HG22 ' C' ' 78' ' ' THR . 96.3 mt -61.06 -39.64 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.266 -176.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 45.1 mt -55.68 -46.12 77.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.68 -37.41 84.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . 0.461 ' OE2' ' NZ ' ' C' ' 79' ' ' LYS . 98.7 mt-10 -63.55 -40.21 96.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.236 177.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 74.0 mtm -66.17 -37.01 84.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -61.4 -37.41 83.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -67.23 -52.97 34.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 175.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.82 -36.06 81.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.202 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 45.9 tp -56.26 -51.99 66.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 177.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.3 -45.18 94.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.97 -37.37 87.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.211 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.73 -46.56 87.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 172.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . 0.439 ' NZ ' ' OE2' ' C' ' 62' ' ' GLU . 60.2 tttp -56.64 -34.37 67.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -177.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -54.18 -34.68 61.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 66.3 p -72.89 -14.29 61.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.241 -170.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.29 -19.18 64.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -174.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -85.64 -1.54 57.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -118.82 -40.97 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.014 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -178.515 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.6 m -108.33 13.57 25.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 111.161 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.535 ' HE2' ' H ' ' C' ' 98' ' ' GLY . 45.6 t-80 -62.31 129.4 40.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.206 179.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 19.8 mmt -134.79 174.98 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.231 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.92 177.13 47.86 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -175.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 99.4 m -61.9 -42.74 99.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.895 0.379 . . . . 0.0 111.233 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.48 -31.86 70.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -73.83 -40.75 63.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.3 mt -64.43 -40.77 96.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.264 172.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -59.43 -49.7 76.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.176 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -60.15 -39.65 87.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.304 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.4 m -62.44 -41.53 98.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.93 -40.12 96.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.69 -39.21 93.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -64.2 -41.68 96.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.191 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.51 -41.71 94.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.235 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -59.99 -47.82 84.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.166 175.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -52.68 -50.01 64.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.1 mm -70.91 -40.07 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.5 tp -56.5 -47.59 78.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.189 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.83 -40.71 89.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.236 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.26 -40.12 92.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.259 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.4 mt -65.37 -41.16 94.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.78 -36.8 79.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -81.16 -48.27 12.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -139.1 83.62 17.78 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 -173.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.88 141.54 85.39 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.66 1.574 . . . . 0.0 111.231 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.4 t -167.33 145.91 4.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.303 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.3 -32.32 64.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.75 -48.69 79.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -75.6 -31.1 59.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.7 mt -61.97 -47.4 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.25 -40.83 90.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.165 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -61.0 -40.36 93.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 175.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.92 88.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.258 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -60.24 -45.25 96.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -49.86 -54.64 18.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.186 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.73 83.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 86.2 mt -65.0 -47.66 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.71 -44.32 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.186 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.39 -40.56 96.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 177.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -63.01 -44.72 95.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.27 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -59.9 -40.92 90.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.91 -41.2 86.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -64.7 -42.89 94.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.5 mt -63.21 -48.47 87.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.233 -176.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.41 -48.62 84.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.284 -175.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -69.84 -37.35 76.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.243 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.56 85.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.157 177.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.68 -44.23 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.183 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -56.08 -41.12 74.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.76 -36.06 69.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.9 -40.56 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.159 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.8 -40.09 85.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -62.2 -38.66 89.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 174.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.89 -38.05 89.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.261 175.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.58 -38.17 86.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.65 89.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.186 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.23 -39.66 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.0 mt -62.86 -41.68 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.249 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.6 t -56.79 -50.25 75.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.241 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.75 -35.36 79.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.149 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.37 -50.61 69.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 174.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -59.28 -38.99 81.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.201 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.29 -53.56 55.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.256 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.71 -37.2 78.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 94.2 mt -65.48 -48.03 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.196 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.59 -44.0 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.231 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.52 -44.33 96.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.34 93.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.468 ' C ' HD23 ' A' ' 71' ' ' LEU . 7.4 tt -59.73 -49.78 76.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.2 -43.85 78.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.26 177.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.61 69.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 pt -106.38 10.92 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.244 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.17 -177.49 50.8 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -168.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.67 -88.71 1.32 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.85 -173.95 48.97 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.5 p -125.28 20.1 8.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.752 0.311 . . . . 0.0 111.219 -174.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.2 -51.53 8.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 -167.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.1 pt -120.66 24.08 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 tp -64.0 -47.98 78.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.8 -35.83 79.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.195 178.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.93 -44.63 96.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 76.8 mtm -62.18 -41.86 98.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.271 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -68.43 -42.52 78.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.62 -50.1 73.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.285 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.1 -38.25 82.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.41 -50.31 74.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.249 175.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.4 -42.0 93.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.1 -42.42 94.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.8 -45.26 87.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -59.4 -42.77 92.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.09 -30.98 72.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 178.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.5 m -79.59 -0.6 34.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -174.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.8 -11.24 60.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -82.08 -3.88 55.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.321 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -98.45 154.88 17.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.542 ' H ' ' HE2' ' B' ' 3' ' ' HIS . . . . . . . . 0 C--O 1.199 -2.057 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.57 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.6 m -108.33 13.55 25.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.331 . . . . 0.0 111.146 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . 0.542 ' HE2' ' H ' ' A' ' 98' ' ' GLY . 45.7 t-80 -62.27 129.39 40.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.218 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 19.8 mmt -134.79 174.97 9.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.266 177.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.91 177.13 47.89 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 100.0 m -61.91 -42.79 99.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.904 0.383 . . . . 0.0 111.21 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.41 -31.99 70.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.187 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -73.65 -40.79 63.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.243 -176.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.48 -40.8 96.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 172.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -59.38 -49.69 76.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.191 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -60.15 -39.67 87.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.234 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -62.45 -41.55 98.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.188 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.92 -40.1 96.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.63 -39.22 93.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.241 177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -64.21 -41.68 96.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.227 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 63.6 mt -60.51 -41.7 94.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.236 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.06 -47.75 84.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -52.65 -50.02 64.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.251 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 48.1 mm -70.99 -39.97 75.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 tp -56.63 -47.52 79.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.77 -40.79 89.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.279 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.22 -40.11 92.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.278 176.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.3 mt -65.38 -41.09 94.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.296 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.8 -36.81 79.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -81.18 -48.14 12.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.271 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -139.2 83.58 17.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 -173.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -55.88 141.55 85.42 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.601 1.534 . . . . 0.0 111.244 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 31.4 t -167.27 145.9 4.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.317 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.38 -32.23 64.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.83 -48.64 79.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -75.6 -31.15 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 -178.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.0 mt -61.95 -47.4 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.23 -40.88 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.168 177.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.9 -40.39 92.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.225 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.71 -46.88 88.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.312 175.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -60.34 -45.19 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.191 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -49.86 -54.64 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.89 83.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.24 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.0 -47.69 87.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.123 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.69 -44.31 98.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.33 -40.6 96.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -63.05 -44.64 95.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.336 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -59.96 -40.86 90.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.286 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.27 86.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -64.75 -42.8 94.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 81.4 mt -63.29 -48.56 86.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.188 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 42.3 t -58.31 -48.59 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.285 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -69.87 -37.37 76.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 -177.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.49 85.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 177.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.59 -44.33 89.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.226 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -56.03 -41.12 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.77 -36.06 69.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.83 -40.67 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.126 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.73 -40.13 85.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.099 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.13 -38.68 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.098 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.92 -38.08 89.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -61.49 -38.2 86.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.221 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.73 89.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.229 176.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -64.18 -39.67 94.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 84.9 mt -62.89 -41.7 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 43.3 t -56.8 -50.23 75.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.256 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -66.78 -35.26 79.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.43 -50.74 68.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 174.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -59.16 -39.05 81.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.178 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.23 -53.56 55.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.71 -37.18 78.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.231 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.49 -47.99 84.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.25 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.55 -44.06 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.66 -44.19 96.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.84 -45.43 92.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.466 ' C ' HD23 ' B' ' 71' ' ' LEU . 7.4 tt -59.58 -49.82 76.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.305 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.21 -43.72 78.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.321 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.54 -33.61 70.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -177.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 pt -106.35 10.83 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.186 -177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.15 -177.58 50.83 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -168.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.58 -88.76 1.33 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.78 -173.9 48.85 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 174.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 70.7 p -125.37 20.12 8.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.347 . . . . 0.0 111.254 -174.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.17 -51.47 8.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.241 -167.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 44.0 pt -120.75 24.11 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.215 -176.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 60.5 tp -63.99 -47.96 78.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.88 -35.74 79.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.199 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.96 -44.65 97.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.285 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 76.9 mtm -62.05 -42.0 98.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.322 177.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -68.24 -42.56 79.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.285 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.7 -50.07 73.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.288 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.0 -38.29 82.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.21 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.43 -50.34 74.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.23 175.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.41 -41.98 93.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 -177.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.99 -42.53 94.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 60.6 tp -64.73 -45.2 87.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -59.51 -42.67 92.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.13 -30.98 72.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 68.4 m -79.64 -0.5 34.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.21 -174.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 90.3 mt -68.86 -11.16 60.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.175 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -82.09 -3.9 55.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.321 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -98.54 154.91 17.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.182 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . 0.554 ' H ' ' HE2' ' C' ' 3' ' ' HIS . . . . . . . . 0 C--O 1.199 -2.071 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 177.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 70.3 m -108.34 13.6 25.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.754 0.311 . . . . 0.0 111.158 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . 0.554 ' HE2' ' H ' ' B' ' 98' ' ' GLY . 45.4 t-80 -62.23 129.4 40.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 179.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 19.8 mmt -134.84 174.97 10.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.217 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.91 177.2 47.91 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -175.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 100.0 m -61.91 -42.79 99.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.934 0.397 . . . . 0.0 111.235 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.47 -31.89 70.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -73.75 -40.74 63.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.189 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.49 -40.81 96.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.237 172.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -59.36 -49.63 77.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.259 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -60.16 -39.68 87.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.27 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.5 m -62.53 -41.42 98.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.99 -40.15 96.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.64 -39.2 93.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.216 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -64.17 -41.72 97.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.244 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.43 -41.72 94.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.301 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.05 -47.75 84.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 175.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -52.74 -49.98 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.123 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 48.2 mm -70.97 -39.96 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 -176.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 53.3 tp -56.59 -47.55 79.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.78 -40.81 89.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.194 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.15 -40.16 92.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.309 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 mt -65.35 -41.16 94.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.78 -36.77 79.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.186 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -81.19 -48.14 12.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.279 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -139.18 83.54 17.72 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 -173.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -55.92 141.59 85.68 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.626 1.55 . . . . 0.0 111.272 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 31.4 t -167.36 145.93 4.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.28 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.44 -32.25 64.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.76 -48.64 79.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -75.64 -31.13 59.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.95 -47.37 93.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.27 -40.86 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.159 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -61.01 -40.31 93.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.88 88.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.269 175.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.32 -45.18 96.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -49.93 -54.63 18.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.84 83.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.244 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 86.0 mt -65.04 -47.76 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.52 -44.39 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.34 -40.59 96.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 177.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -62.94 -44.76 95.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.336 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -59.96 -40.86 90.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.256 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.31 86.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -64.71 -42.78 95.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.11 176.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 81.4 mt -63.3 -48.55 86.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.13 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.39 -48.61 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 -175.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -69.81 -37.38 76.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.37 -47.57 85.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.183 177.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 79.2 mt -58.53 -44.4 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.19 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -55.97 -41.06 74.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.209 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.87 -35.96 69.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.93 -40.66 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 70.8 t -61.68 -40.19 85.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.095 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.12 -38.63 89.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.134 174.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.95 -38.01 89.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.245 176.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -61.52 -38.21 86.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.73 89.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.26 -39.55 94.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 175.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.93 -41.73 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 43.6 t -56.68 -50.3 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.264 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.77 -35.29 79.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.43 -50.64 68.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.276 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -59.17 -39.01 81.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.26 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.23 -53.65 54.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.205 176.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.67 -37.2 78.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.168 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 94.1 mt -65.46 -48.03 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.59 -44.03 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.58 -44.23 96.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.255 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.31 93.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . 0.468 ' C ' HD23 ' C' ' 71' ' ' LEU . 7.4 tt -59.74 -49.8 76.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 -178.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.18 -43.79 78.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.287 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.55 -33.56 70.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 pt -106.35 10.82 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.166 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.2 -177.56 50.78 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -168.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.6 -88.71 1.32 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.84 -173.95 48.96 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 174.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 69.5 p -125.31 20.12 8.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.863 0.363 . . . . 0.0 111.256 -174.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.24 -51.48 8.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -167.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 44.0 pt -120.73 24.2 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.233 -176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 60.2 tp -64.02 -47.98 78.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.88 -35.71 79.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.06 -44.58 97.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.257 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 76.8 mtm -62.16 -41.92 98.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.248 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -68.31 -42.53 79.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.252 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.71 -50.08 73.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.236 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.05 -38.22 82.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.198 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.48 -50.37 74.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 175.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.28 -42.07 93.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.01 -42.44 94.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.212 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.78 -45.23 87.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -59.49 -42.73 92.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.1 -30.95 72.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 68.9 m -79.6 -0.56 34.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.246 -174.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.83 -11.19 60.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -82.21 -3.76 55.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.335 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -98.56 154.96 17.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.211 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 98' ' ' GLY . . . . . 0.535 ' H ' ' HE2' ' A' ' 3' ' ' HIS . . . . . . . . 0 C--O 1.199 -2.033 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 177.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.552 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -87.64 171.85 10.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.72 0.295 . . . . 0.0 111.258 170.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.449 ' H ' ' HB1' ' A' ' 52' ' ' ALA . 99.1 m-70 -98.64 9.06 44.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.197 171.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 60.2 ttm -139.75 128.98 23.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.243 173.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.34 149.17 49.64 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -174.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.0 p -90.13 -5.62 56.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.816 0.341 . . . . 0.0 111.189 176.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.53 -39.11 92.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 175.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.4 -37.94 87.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.261 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.66 -42.73 95.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.242 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -65.28 -39.83 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -57.01 -47.96 79.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.182 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.7 m -60.54 -40.13 90.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.1 mt -62.06 -40.32 95.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.218 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.31 -37.43 87.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -64.03 -42.88 96.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.28 174.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.55 -39.04 92.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.211 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -57.26 -50.75 71.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -58.48 -43.43 88.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.75 -42.73 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.8 mt -59.29 -43.93 92.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.241 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.46 -43.9 96.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.208 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.52 -38.18 86.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.7 tp -64.43 -47.62 78.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.73 -42.01 78.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.245 -176.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.99 -41.63 86.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -137.45 79.14 36.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.211 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -54.56 134.89 64.28 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.718 1.612 . . . . 0.0 111.232 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.9 p -165.33 156.14 13.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.53 -37.55 75.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.184 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.61 -52.35 65.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.226 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -67.39 -35.27 78.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -177.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -63.35 -49.28 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.23 -45.58 95.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.31 -39.85 95.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.39 86.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 176.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.1 mt -61.69 -46.9 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.255 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.98 -47.15 83.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.249 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.29 83.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.09 -44.7 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.267 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.35 -42.65 94.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.267 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -58.64 -47.09 85.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.222 174.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -57.76 -43.81 85.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.236 176.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -60.19 -40.35 89.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.3 -41.48 89.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -65.37 -40.11 93.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.0 mt -62.23 -50.72 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.54 -45.81 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.258 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -64.07 -39.46 94.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.193 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.78 84.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.23 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.4 mt -57.45 -44.62 84.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -54.85 -46.06 74.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.449 ' HB1' ' H ' ' A' ' 3' ' ' HIS . . . -57.57 -39.53 76.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 178.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.92 -46.1 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 176.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.45 -46.76 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.195 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.91 -40.84 97.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.259 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -67.2 -37.28 83.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.211 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.53 -39.9 85.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.3 88.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -66.95 -38.1 85.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.281 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.9 mt -61.41 -43.43 96.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.18 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.73 -44.6 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.89 -40.3 94.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.248 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.73 -45.06 91.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -60.37 -38.36 83.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.18 -47.75 84.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.258 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.88 -38.09 84.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.88 -44.73 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.23 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.94 -43.23 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.245 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.62 -39.77 77.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.196 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.5 95.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.157 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.1 mt -58.55 -44.99 89.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 175.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -55.0 -46.56 75.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 175.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.2 -37.29 74.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.192 -175.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.2 pt -102.54 13.7 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 -173.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.5 -1.84 32.9 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.62 147.42 49.81 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -171.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.18 -24.57 27.51 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.7 p -131.04 169.96 15.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.717 0.294 . . . . 0.0 111.263 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -61.92 -29.5 70.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 -171.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 80' ' ' ILE . 10.3 tp -55.84 -23.13 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.24 -177.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.9 tp -51.83 -52.22 50.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 175.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.01 -40.39 65.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -172.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.1 -36.5 84.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -175.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 73.6 mtm -74.46 -39.93 62.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.33 -35.4 69.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.229 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.74 -26.68 62.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.68 -25.61 66.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.97 -35.3 79.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.26 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.42 -38.76 74.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.47 -39.51 77.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.238 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.3 tp -71.25 -38.57 71.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.68 -26.55 14.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.158 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -58.15 -22.98 53.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.5 p -112.31 10.85 20.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.221 -177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.6 tp -91.68 125.67 36.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 -174.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -78.48 149.14 33.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.273 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -130.64 153.69 48.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.182 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.95 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 176.341 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.533 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 90.0 p -87.65 171.88 10.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.79 0.329 . . . . 0.0 111.235 170.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . 0.45 ' H ' ' HB1' ' B' ' 52' ' ' ALA . 99.1 m-70 -98.68 9.16 43.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.202 171.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 60.2 ttm -139.82 128.96 23.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 173.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.3 149.19 49.7 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -174.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 80.2 p -90.12 -5.62 56.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.351 . . . . 0.0 111.208 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.53 -39.1 92.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.215 175.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.44 -37.91 87.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.217 176.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.69 -42.69 95.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.266 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -65.27 -39.82 93.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.222 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -57.09 -47.86 80.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 55.8 m -60.57 -40.17 90.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.03 -40.35 95.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.237 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -65.21 -37.6 87.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -63.92 -43.01 97.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.53 -38.91 91.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.254 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -57.43 -50.61 72.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 177.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -58.63 -43.35 89.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 87.6 mt -60.78 -42.72 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 63.7 mt -59.26 -44.0 92.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.44 -43.86 96.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.216 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.47 -38.25 86.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.41 -47.57 78.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -68.88 -41.96 77.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -176.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.93 -41.71 86.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.208 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -137.4 79.18 36.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.217 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -54.53 134.98 64.59 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.73 1.62 . . . . 0.0 111.172 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.2 p -165.43 156.12 13.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.61 -37.44 75.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.63 -52.33 65.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -67.48 -35.27 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.225 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.31 -49.33 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.26 -45.55 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.29 -39.98 96.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.37 86.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.246 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.72 -46.95 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.172 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.95 -47.25 83.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.156 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.25 -38.39 83.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.0 mt -64.06 -44.65 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.306 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.4 -42.68 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -58.63 -47.07 85.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.235 174.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -57.77 -43.84 85.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.14 -40.39 89.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.53 89.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -65.31 -40.16 93.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.16 -50.7 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.61 -45.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -175.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.9 -39.45 94.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.274 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.67 -46.72 84.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.204 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 90.1 mt -57.4 -44.72 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -54.77 -46.05 74.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . 0.45 ' HB1' ' H ' ' B' ' 3' ' ' HIS . . . -57.63 -39.52 77.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 178.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.93 -46.06 95.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.45 -46.83 92.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.216 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.86 -40.91 97.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.299 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -67.14 -37.27 83.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.228 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -59.57 -39.69 84.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.23 89.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.201 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -66.99 -38.17 85.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 79.1 mt -61.39 -43.45 96.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.206 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.71 -44.6 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 176.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -61.88 -40.33 95.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.281 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.61 -45.2 91.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 177.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.3 -38.4 83.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.17 -47.71 84.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.275 176.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.9 -38.03 84.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.219 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.88 -44.77 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.88 -43.27 96.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.24 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.68 -39.69 77.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.208 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.44 95.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.62 -45.04 90.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -54.98 -46.44 75.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.294 175.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.31 -37.2 74.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 -175.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 47.3 pt -102.68 13.76 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 -173.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.52 -1.87 32.84 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.61 147.34 49.82 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -171.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.26 -24.63 27.24 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 82.6 p -130.96 169.97 15.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 111.175 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -61.89 -29.56 70.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -171.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.87 -23.06 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 -177.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.8 tp -51.97 -52.14 52.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.08 -40.3 65.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.17 -172.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.19 -36.46 84.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -175.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 73.6 mtm -74.48 -39.93 62.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 175.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.35 -35.35 69.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.18 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.83 -26.62 62.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.73 -25.58 66.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.98 -35.31 79.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.4 -38.7 74.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -176.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -69.59 -39.44 77.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.243 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 54.0 tp -71.14 -38.68 72.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.7 -26.44 13.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 -174.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -58.2 -22.96 53.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 -177.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 83.3 p -112.39 10.88 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 51.3 tp -91.54 125.65 36.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.274 -174.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -78.54 149.16 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.249 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -130.54 153.7 48.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.937 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.205 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.556 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 90.2 p -87.56 171.88 10.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.836 0.35 . . . . 0.0 111.234 170.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . 0.443 ' H ' ' HB1' ' C' ' 52' ' ' ALA . 99.1 m-70 -98.64 9.04 44.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 171.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 60.2 ttm -139.79 128.97 23.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 173.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.31 149.14 49.64 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 81.2 p -90.1 -5.6 56.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 111.2 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.61 -39.03 92.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.41 -37.95 87.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.252 176.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.71 -42.68 95.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.246 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -65.27 -39.78 93.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.275 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -57.2 -47.77 80.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 174.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 55.9 m -60.54 -40.23 90.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.99 -40.37 95.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -65.23 -37.52 87.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.194 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -64.02 -42.9 96.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.55 -38.98 92.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.234 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -57.36 -50.72 72.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -58.5 -43.36 89.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.79 -42.83 93.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 64.3 mt -59.19 -43.94 92.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.43 -43.93 96.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.42 -38.21 86.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.41 -47.53 78.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.87 -42.02 77.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.96 -41.64 86.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.41 79.13 36.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -54.58 134.96 64.71 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.706 1.604 . . . . 0.0 111.237 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -165.36 156.15 13.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.59 -37.5 75.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 174.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.63 -52.38 65.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -67.36 -35.36 79.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.27 -49.3 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.29 -45.63 95.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.22 -39.92 95.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.38 86.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.183 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.8 -47.0 95.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.89 -47.24 83.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.37 83.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.191 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.16 -44.7 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.231 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 79.6 t -61.28 -42.75 94.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.183 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -58.57 -47.21 85.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 174.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -57.67 -43.8 85.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.299 176.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.25 -40.3 89.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.53 89.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -65.33 -40.15 93.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 176.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.21 -50.67 79.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.64 -45.83 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -175.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -63.91 -39.47 94.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.278 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.77 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.184 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 90.3 mt -57.45 -44.66 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -54.8 -45.96 74.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.212 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . 0.443 ' HB1' ' H ' ' C' ' 3' ' ' HIS . . . -57.62 -39.59 77.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.85 -46.03 95.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.273 176.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.51 -46.82 92.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 -178.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.87 -40.88 97.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.297 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -67.16 -37.27 83.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.216 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -59.6 -39.75 85.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.19 88.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -67.08 -37.99 84.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.289 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 79.3 mt -61.42 -43.48 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.191 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.68 -44.68 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 176.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.82 -40.32 94.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.261 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.78 -45.07 91.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -60.29 -38.41 83.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.15 -47.78 84.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.222 176.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.9 -38.0 84.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.188 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.9 -44.71 98.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.05 -43.1 96.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.72 -39.7 77.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.195 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.42 95.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.66 -44.97 90.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -55.03 -46.51 75.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 175.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.23 -37.21 74.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.267 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 47.2 pt -102.64 13.73 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 -173.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.47 -1.9 32.96 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.57 147.37 49.75 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -171.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.16 -24.58 27.53 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 82.6 p -130.9 169.97 15.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.735 0.303 . . . . 0.0 111.246 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -61.86 -29.55 70.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 -171.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.89 -23.01 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.246 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 53.0 tp -51.9 -52.24 51.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 175.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.09 -40.25 65.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.198 -172.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.2 -36.43 84.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -175.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 73.5 mtm -74.47 -39.89 62.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.255 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.35 -35.38 69.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.185 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.76 -26.72 62.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.67 -25.54 66.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.11 -35.19 79.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.41 -38.79 74.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.51 -39.49 77.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.245 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 53.9 tp -71.18 -38.62 72.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.8 -26.46 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -174.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -58.18 -22.86 53.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.27 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 83.2 p -112.42 10.93 19.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.198 -177.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 51.6 tp -91.74 125.7 36.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.2 -174.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -78.5 149.2 33.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.286 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -130.64 153.65 48.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.947 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 176.249 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.443 ' N ' ' OE2' ' A' ' 48' ' ' GLU . . . . . . . . 0 CA--C 1.523 0.58 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.4 p -70.96 160.18 33.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 111.232 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -129.69 137.01 50.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 90.7 mmm -90.04 149.21 22.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 172.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.43 -148.17 45.07 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -178.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.5 p -123.06 -25.12 4.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 111.217 -172.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.17 -47.56 82.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -160.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -63.8 -49.36 73.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 -173.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.4 mt -81.13 -30.2 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 -172.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.21 -44.99 88.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -53.26 -48.05 68.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.5 m -59.42 -41.28 89.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.0 mt -65.71 -38.4 89.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.241 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.06 -36.44 84.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -58.19 -47.35 83.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 173.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.6 -40.15 96.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -60.99 -57.18 13.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.92 -46.34 89.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 -176.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.23 -42.04 93.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.508 HD13 ' C ' ' A' ' 20' ' ' LEU . 3.2 tm? -63.96 -48.29 77.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.248 178.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -58.91 -44.46 91.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -62.72 -40.93 98.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.246 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.1 tp -59.97 -50.24 74.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.234 176.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.33 -41.61 98.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.296 -174.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.64 -41.07 93.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.93 79.5 32.86 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -57.03 142.95 94.08 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.649 1.566 . . . . 0.0 111.214 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -161.5 158.62 26.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.27 -25.0 67.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -75.15 -54.79 6.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.251 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -73.03 -30.51 63.8 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.073 -171.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 tp -62.91 -28.29 44.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.782 0.325 . . . . 0.0 111.196 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.5 t -83.2 -44.09 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 175.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.83 -39.44 89.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.8 -38.18 81.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.41 -44.85 71.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.259 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -54.66 -47.99 72.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.236 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.94 -38.93 76.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.242 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.3 mt -65.12 -43.95 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.87 -42.99 91.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.68 -42.8 97.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.125 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -65.64 -40.21 92.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.253 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.34 -39.23 86.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.16 -42.15 90.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -66.22 -42.43 88.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.9 mt -60.22 -51.6 71.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 50.7 t -64.16 -43.77 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.443 ' OE2' ' N ' ' A' ' 1' ' ' GLY . 46.9 tt0 -58.72 -43.78 90.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 178.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.58 96.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.5 mt -62.83 -45.14 99.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.244 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -55.08 -44.09 74.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 177.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.24 -46.17 88.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.3 mt -61.09 -45.55 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -176.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.91 -47.53 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -64.93 -38.9 92.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.242 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -64.01 -41.3 97.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.76 -39.25 93.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.302 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.98 86.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.76 -39.43 93.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 86.5 mt -63.2 -42.68 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.207 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.8 t -58.87 -43.95 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -61.22 -43.07 99.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.192 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.5 -43.56 96.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.209 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.37 -37.73 86.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -58.1 -48.54 79.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 174.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.79 -37.96 86.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.13 -44.14 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.76 -45.52 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.249 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.84 -40.5 76.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.207 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.71 -43.29 90.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.191 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.89 -42.77 99.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -61.16 -35.8 78.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.248 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.18 -58.97 4.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.6 pt -81.34 -12.91 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.183 -172.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.69 18.13 48.06 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.42 132.43 46.47 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.74 -13.66 63.68 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.1 p -82.93 169.19 16.3 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.364 0.602 . . . . 0.0 111.052 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -85.51 -24.16 27.43 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.251 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 33.5 pt -60.98 -14.63 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.11 -36.22 76.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 177.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.53 -36.41 83.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 -172.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.23 -42.53 17.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.237 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 65.1 mtm -63.66 -41.15 98.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.216 -173.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.65 -37.22 85.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.12 -46.67 70.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.11 -38.25 88.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.208 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.483 ' C ' HD23 ' A' ' 88' ' ' LEU . 8.8 tt -59.16 -50.21 74.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.258 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.18 -44.62 94.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -177.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.33 -39.1 74.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.22 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.99 -50.3 74.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.256 176.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.85 -45.87 71.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -60.16 -38.75 84.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.209 -177.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.2 p -68.09 -16.01 63.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 -175.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.442 ' C ' HD23 ' A' ' 95' ' ' LEU . 10.2 tt -51.12 -41.11 59.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -79.94 10.13 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 -169.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -126.21 -1.77 7.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 172.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.012 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 -172.199 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.437 ' N ' ' OE2' ' B' ' 48' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.631 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -71.02 160.19 33.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 111.211 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -129.68 136.98 50.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 90.7 mmm -90.03 149.22 22.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 172.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.36 -148.07 45.04 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 67.5 p -123.07 -25.29 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 111.16 -172.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.1 -47.56 82.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 -160.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -63.83 -49.32 73.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -173.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -81.17 -30.21 34.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -172.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.2 -45.01 88.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 174.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -53.13 -48.25 68.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.225 176.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 73.4 m -59.37 -41.26 88.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.251 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 72.2 mt -65.64 -38.43 89.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.225 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.1 -36.42 83.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -58.24 -47.26 84.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.252 173.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.62 -40.02 95.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -61.16 -57.08 13.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.145 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.94 -46.36 89.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.219 -176.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.12 -42.08 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.248 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.512 HD13 ' C ' ' B' ' 20' ' ' LEU . 3.2 tm? -64.03 -48.29 76.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.182 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -58.88 -44.38 91.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -62.8 -40.89 98.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.261 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.95 -50.27 74.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 176.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.37 -41.67 98.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.19 -174.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.65 -41.03 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.146 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.9 79.52 32.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.245 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -57.04 142.92 94.14 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.742 1.628 . . . . 0.0 111.142 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 93.1 p -161.48 158.61 26.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.28 -25.03 67.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -75.13 -54.84 6.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -72.95 -30.56 63.95 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.094 -171.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 tp -62.9 -28.31 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.791 0.329 . . . . 0.0 111.132 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 72.8 t -83.22 -44.1 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 175.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.77 -39.54 89.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.77 -38.15 81.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.2 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -71.43 -44.86 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -54.59 -48.01 72.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.245 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.03 -38.89 77.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 83.5 mt -65.16 -43.99 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.82 -43.01 90.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.62 -42.83 97.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.152 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -65.63 -40.25 92.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.33 -39.18 86.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.15 90.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -66.27 -42.33 88.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.3 -51.6 71.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.189 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 51.0 t -64.1 -43.9 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -177.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.437 ' OE2' ' N ' ' B' ' 1' ' ' GLY . 46.8 tt0 -58.56 -43.91 89.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.229 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.55 96.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.8 -45.22 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.25 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -55.06 -44.07 74.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.28 -46.18 87.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.15 -45.46 98.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -176.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.95 -47.54 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.19 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.04 -38.75 91.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.26 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -64.09 -41.2 97.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.272 176.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.78 -39.29 93.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.251 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.92 86.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.74 -39.49 93.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.11 -42.77 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.205 175.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 45.7 t -58.85 -43.99 89.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -61.28 -42.96 99.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.199 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -63.59 -43.49 96.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.221 176.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.32 -37.84 87.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.19 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -57.9 -48.66 79.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 174.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.97 86.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.12 -44.07 94.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.81 -45.54 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.198 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.75 -40.57 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.222 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.74 -43.24 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.221 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.94 -42.76 99.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.192 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -61.13 -35.84 78.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.23 -58.92 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.273 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 pt -81.28 -12.94 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.212 -172.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.63 18.1 48.33 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.37 132.39 46.27 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.73 -13.61 63.75 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 176.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 61.5 p -82.92 169.23 16.26 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 121.419 0.628 . . . . 0.0 111.03 -178.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -85.53 -24.21 27.38 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.208 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.4 pt -60.95 -14.6 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.241 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.14 -36.23 77.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.277 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.62 -36.24 83.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.188 -172.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.26 -42.53 17.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.278 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 65.2 mtm -63.73 -41.13 98.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -173.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.56 -37.31 85.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.07 -46.72 70.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 175.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.1 -38.18 87.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.476 HD23 ' C ' ' B' ' 88' ' ' LEU . 8.8 tt -59.26 -50.18 75.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.18 -44.64 94.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 -176.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.29 -39.2 75.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.92 -50.37 74.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.246 176.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.8 -45.88 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.216 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -60.18 -38.78 84.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.216 -177.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 53.4 p -68.07 -16.01 63.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 -175.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.435 ' C ' HD23 ' B' ' 95' ' ' LEU . 10.3 tt -51.17 -41.03 59.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -79.95 10.08 4.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.252 -169.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -126.23 -1.64 7.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 172.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.003 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -172.241 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . 0.44 ' N ' ' OE2' ' C' ' 48' ' ' GLU . . . . . . . . 0 CA--C 1.524 0.601 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p -71.05 160.18 33.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.216 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -129.68 137.03 50.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 90.8 mmm -90.06 149.23 22.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 172.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.36 -148.14 45.14 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 67.4 p -123.02 -25.33 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 0.0 111.162 -172.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -57.98 -47.66 82.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.203 -160.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -63.8 -49.32 73.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.196 -173.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -81.17 -30.19 34.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -172.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.25 -44.94 88.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 174.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -53.17 -48.21 68.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 73.4 m -59.44 -41.28 89.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 72.0 mt -65.65 -38.44 89.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.13 -36.39 83.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -58.2 -47.42 83.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 173.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.47 -40.21 96.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.161 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -61.02 -57.11 13.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.98 -46.28 89.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.243 -176.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.12 -42.15 93.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.216 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' LEU . . . . . 0.51 HD13 ' C ' ' C' ' 20' ' ' LEU . 3.2 tm? -63.98 -48.3 76.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 178.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -58.92 -44.38 91.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.208 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -62.76 -40.88 98.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.267 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.03 -50.26 74.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.44 -41.56 98.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.191 -174.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.57 -41.16 93.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.176 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.83 79.53 33.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.238 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -57.07 142.94 94.22 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.667 1.578 . . . . 0.0 111.183 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 93.5 p -161.47 158.62 26.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.209 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.18 -25.09 67.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -75.1 -54.82 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -72.97 -30.58 63.94 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.04 -171.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 tp -62.86 -28.33 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.714 0.292 . . . . 0.0 111.148 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 72.3 t -83.28 -43.97 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.195 175.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.8 -39.55 89.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.66 -38.23 80.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.262 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.36 -44.93 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -54.58 -48.06 72.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.198 176.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.01 -38.85 76.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.234 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 84.1 mt -65.14 -43.86 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.246 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.91 -42.98 91.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.62 -42.79 97.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.18 175.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -65.7 -40.28 92.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.26 -39.27 86.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.29 90.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 176.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -66.11 -42.34 89.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 79.5 mt -60.29 -51.64 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 51.4 t -64.11 -43.79 97.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.188 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' GLU . . . . . 0.44 ' OE2' ' N ' ' C' ' 1' ' ' GLY . 47.0 tt0 -58.61 -43.86 89.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.28 178.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.82 -44.53 96.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.204 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.75 -45.21 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.261 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -55.04 -44.14 74.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 177.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.18 -46.17 88.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.267 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.08 -45.52 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.255 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.93 -47.51 93.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.21 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.06 -38.79 91.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -64.02 -41.22 97.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.264 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.84 -39.33 94.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.187 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.02 86.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.152 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.71 -39.46 93.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.104 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.16 -42.71 97.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.219 175.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 45.8 t -58.83 -43.99 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -61.32 -42.92 99.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.175 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -63.68 -43.46 96.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.193 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.32 -37.82 87.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -57.99 -48.56 79.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 174.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.97 86.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 69.1 mt -60.12 -44.09 94.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.242 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.8 -45.57 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.72 -40.62 76.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.23 89.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.242 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.93 -42.72 99.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.242 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -61.17 -35.8 78.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.26 -58.96 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.197 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 pt -81.24 -12.99 12.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -172.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 75' ' ' GLY . . . . . 0.402 ' O ' ' OG1' ' C' ' 78' ' ' THR . . . -103.61 18.13 48.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 178.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.45 132.42 46.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -178.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.8 -13.69 63.58 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' C' ' 75' ' ' GLY . 60.9 p -82.87 169.24 16.29 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.368 0.604 . . . . 0.0 111.045 -178.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -85.59 -24.19 27.28 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.216 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 33.5 pt -60.87 -14.7 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.228 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.08 -36.31 77.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.226 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.5 -36.34 83.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 -172.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.22 -42.6 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.235 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 65.3 mtm -63.64 -41.07 98.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.277 -173.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.68 -37.22 85.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.215 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.1 -46.64 70.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 175.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.19 -38.16 88.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 88' ' ' LEU . . . . . 0.483 ' C ' HD23 ' C' ' 88' ' ' LEU . 8.8 tt -59.22 -50.25 74.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.12 -44.69 94.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.27 -39.13 75.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 55.3 tp -58.92 -50.33 74.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.277 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.88 -45.89 71.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -60.17 -38.75 84.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 -177.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 53.4 p -68.13 -16.04 63.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -175.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 95' ' ' LEU . . . . . 0.43 ' C ' HD23 ' C' ' 95' ' ' LEU . 10.3 tt -51.16 -41.03 59.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 -179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -79.99 10.13 4.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.24 -169.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -126.22 -1.68 7.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.239 172.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.98 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -172.242 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.797 0.332 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -57.11 -41.54 79.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.257 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.01 -43.01 99.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.244 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.45 -49.41 77.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.182 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -60.75 -39.08 87.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.23 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -62.39 -39.7 94.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 mt -74.26 -26.6 60.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.8 -40.1 94.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.225 174.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -65.41 -42.19 92.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.0 -43.21 86.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.226 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -54.71 -49.48 70.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.198 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -53.65 -45.93 70.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.275 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.6 -43.46 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -56.58 -49.36 75.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.17 -40.79 86.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -64.9 -39.81 94.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.35 -49.92 75.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.273 176.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.68 -41.37 98.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -175.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.14 -41.27 81.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.234 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -136.61 79.18 41.52 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.214 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -54.51 134.58 62.47 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.724 1.616 . . . . 0.0 111.239 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.8 p -164.94 156.83 15.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.211 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.33 -38.24 76.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.69 -52.53 64.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.86 -33.21 75.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.297 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.6 mt -63.11 -49.65 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.7 t -64.83 -42.63 95.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.228 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -65.09 -39.16 92.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.92 92.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.76 -46.83 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.7 ttp85 -52.42 -52.39 54.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.314 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.12 85.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 82.3 mt -63.55 -46.91 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.56 -46.41 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -63.96 -41.07 97.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -67.96 -35.2 77.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.289 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -59.89 -41.64 92.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 176.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.08 98.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -61.46 -40.05 93.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.211 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 90.1 mt -62.33 -47.67 91.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.63 -41.39 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -64.68 -39.25 93.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.65 98.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 173.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.42 -44.86 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.22 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -49.35 -56.5 9.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.237 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.4 93.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.204 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 87.9 mt -59.32 -46.54 92.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.4 t -62.21 -42.01 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.69 -40.44 92.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.255 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.45 -42.63 95.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.37 -38.92 85.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.14 90.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.132 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -64.08 -38.57 91.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.26 -41.96 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.16 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.3 t -59.37 -46.39 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.194 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.54 -42.04 95.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -61.61 -38.51 87.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.181 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -61.96 -38.26 87.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.89 -37.71 88.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.22 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.03 87.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.4 mt -59.7 -44.08 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.92 -47.93 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.35 -43.09 96.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.81 93.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.254 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.5 tp -64.51 -47.98 76.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.54 -33.98 74.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.179 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.72 -59.04 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.4 pt -73.56 -22.02 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -175.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.3 11.43 67.17 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.57 133.37 35.0 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -175.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.429 ' H ' HD11 ' A' ' 81' ' ' LEU . . . 95.91 -14.75 64.22 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 80' ' ' ILE . 56.9 m -86.31 142.93 28.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 111.205 -178.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.47 -32.27 26.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.176 -174.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.42 ' H ' HG22 ' A' ' 78' ' ' THR . 50.4 pt -50.23 -23.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 -172.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.429 HD11 ' H ' ' A' ' 77' ' ' GLY . 91.9 mt -54.68 -36.49 64.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.273 -177.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -62.48 -34.2 76.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -101.1 -35.39 9.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 -171.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 79.5 mmm -66.1 -32.86 74.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.252 -177.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.0 -35.65 80.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.55 -42.0 98.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -60.23 -46.9 88.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.207 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 tt -52.39 -45.86 66.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.38 -38.11 88.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.199 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.11 -38.6 85.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.251 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.03 -40.38 96.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -57.32 -45.79 83.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 174.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 175.917 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.866 0.365 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -57.12 -41.5 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.266 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.09 -43.06 99.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -59.37 -49.35 78.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.245 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -60.83 -39.09 87.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -62.44 -39.61 93.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.273 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 63.5 mt -74.32 -26.61 60.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.86 -40.02 93.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 174.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -65.49 -42.07 92.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.141 172.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 57.3 tp -58.11 -43.11 87.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.182 176.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -54.77 -49.51 70.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -53.65 -45.91 70.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.273 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.63 -43.42 98.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.8 tp -56.65 -49.24 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.3 -40.67 86.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.0 -39.7 93.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.39 -49.96 75.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.275 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.64 -41.42 98.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 -175.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.17 -41.18 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.252 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -136.68 79.19 41.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.48 134.56 62.28 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.657 1.572 . . . . 0.0 111.261 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 93.9 p -164.92 156.91 15.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.199 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.33 -38.31 76.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.69 -52.48 64.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.92 -33.26 75.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.234 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.02 -49.7 82.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 177.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 63.2 t -64.86 -42.62 95.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -65.08 -39.21 92.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.89 92.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.85 -46.76 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -52.49 -52.38 54.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.266 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.11 86.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 82.7 mt -63.48 -46.9 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.23 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -58.69 -46.26 90.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.199 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -64.01 -41.09 97.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.207 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -67.99 -35.24 78.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.83 -41.64 91.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 176.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.1 98.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.193 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -61.47 -39.97 92.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.238 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 89.9 mt -62.43 -47.64 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.64 -41.39 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.243 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.62 -39.25 93.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.248 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.59 98.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 173.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 86.1 mt -61.39 -44.9 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 176.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -49.38 -56.43 9.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.5 -44.45 93.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -177.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.28 -46.58 92.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 43.9 t -62.3 -41.87 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.68 -40.59 92.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 176.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.42 -42.56 95.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.4 -38.94 85.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.229 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.22 90.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.14 176.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -64.01 -38.67 91.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.21 -41.93 94.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 50.2 t -59.37 -46.4 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.54 -42.1 95.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 174.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -61.48 -38.64 88.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.191 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -62.01 -38.13 87.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.9 -37.74 88.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.273 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.05 87.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 82.5 mt -59.67 -44.11 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.9 -47.86 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.42 -43.13 97.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.85 94.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.279 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 66.8 tp -64.54 -47.92 76.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.193 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.5 -34.12 74.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.67 -59.03 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.228 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 pt -73.54 -21.96 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 -175.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.41 11.47 66.95 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.61 133.36 35.17 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' GLY . . . . . 0.431 ' H ' HD11 ' B' ' 81' ' ' LEU . . . 95.86 -14.61 64.46 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.414 HG22 ' H ' ' B' ' 80' ' ' ILE . 56.3 m -86.38 142.8 28.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.759 0.314 . . . . 0.0 111.218 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.32 -32.36 25.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.233 -174.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.414 ' H ' HG22 ' B' ' 78' ' ' THR . 50.5 pt -50.14 -23.61 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.219 -172.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.431 HD11 ' H ' ' B' ' 77' ' ' GLY . 91.9 mt -54.6 -36.55 64.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.228 -177.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.49 -34.22 76.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -174.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -101.15 -35.43 9.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -171.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 79.5 mmm -66.06 -32.89 74.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.08 -35.54 80.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 176.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.61 -41.93 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.178 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.22 -46.85 88.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.401 ' C ' HD23 ' B' ' 88' ' ' LEU . 9.7 tt -52.46 -45.82 66.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.35 -38.23 88.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.19 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.95 -38.65 86.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.264 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.05 -40.43 96.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.191 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -57.24 -45.84 83.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 175.957 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.821 0.343 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -57.25 -41.47 79.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.243 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.08 -43.06 99.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.38 -49.39 78.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.268 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -60.74 -39.1 87.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.247 -175.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 64.0 m -62.43 -39.66 94.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.236 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 mt -74.29 -26.62 60.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.82 -40.05 93.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.258 174.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -65.43 -42.17 92.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.222 172.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 57.2 tp -57.98 -43.13 86.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 176.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -54.74 -49.51 70.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -53.71 -45.9 70.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.61 -43.42 98.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 57.7 tp -56.57 -49.34 75.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.238 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.15 -40.79 86.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.248 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -64.89 -39.77 94.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.171 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.32 -49.94 75.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.263 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.69 -41.38 98.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 -175.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.19 -41.11 81.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.25 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -136.71 79.15 40.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.51 134.6 62.59 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.674 1.583 . . . . 0.0 111.279 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 94.9 p -164.95 156.89 15.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.21 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.35 -38.28 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.207 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.67 -52.47 65.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.208 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.94 -33.24 75.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.276 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.0 -49.71 82.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.219 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.79 -42.7 95.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -65.01 -39.17 93.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.261 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.89 92.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.82 -46.81 95.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.182 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -52.44 -52.5 53.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.232 178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.41 -40.09 85.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.254 -178.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.5 -46.96 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -58.6 -46.33 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -64.02 -41.04 97.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -68.04 -35.16 77.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.89 -41.61 92.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 176.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.13 98.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.37 -40.1 93.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.254 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.22 -47.69 91.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.274 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.7 -41.29 91.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.292 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -64.67 -39.28 93.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.189 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.52 98.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.191 173.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.52 -44.85 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -49.4 -56.39 9.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.47 93.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 87.9 mt -59.32 -46.56 92.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 44.5 t -62.23 -42.04 93.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.55 -40.53 91.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.259 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.48 -42.52 95.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 174.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.41 -38.96 85.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.194 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.19 90.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -64.01 -38.56 91.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.33 -41.86 94.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.216 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 50.3 t -59.38 -46.45 92.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 176.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.46 -42.11 95.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 174.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -61.54 -38.56 87.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.185 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -62.04 -38.15 87.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.9 -37.74 88.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.221 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.05 87.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 82.4 mt -59.69 -44.1 92.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.235 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.92 -47.87 91.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.46 -42.98 97.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.241 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.78 93.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.239 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 66.5 tp -64.5 -47.92 77.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.237 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.53 -34.04 74.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.76 -58.9 6.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.284 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 34.6 pt -73.68 -21.93 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.196 -175.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.38 11.45 67.01 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.56 133.33 35.0 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 77' ' ' GLY . . . . . 0.425 ' H ' HD11 ' C' ' 81' ' ' LEU . . . 95.91 -14.7 64.3 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.425 HG22 ' H ' ' C' ' 80' ' ' ILE . 56.3 m -86.36 142.84 28.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 0.0 111.239 -178.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.39 -32.34 25.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.116 -174.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 80' ' ' ILE . . . . . 0.425 ' H ' HG22 ' C' ' 78' ' ' THR . 50.4 pt -50.2 -23.61 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.236 -172.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 81' ' ' LEU . . . . . 0.425 HD11 ' H ' ' C' ' 77' ' ' GLY . 91.8 mt -54.57 -36.54 64.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.254 -177.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.54 -34.14 76.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -174.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -101.17 -35.41 9.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 -171.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 79.5 mmm -66.03 -32.93 74.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.211 -177.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -66.96 -35.65 80.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.58 -41.92 98.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.28 -46.86 88.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 tt -52.41 -45.89 66.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.33 -38.19 88.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -67.0 -38.65 86.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.253 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.0 -40.44 96.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.253 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -57.22 -45.84 83.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 175.936 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.874 0.368 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.94 -34.63 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.83 -47.06 79.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.281 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.98 -41.51 95.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -61.44 -40.42 94.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.25 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.2 m -61.63 -39.38 91.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.19 -42.53 86.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.53 -35.68 81.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -63.04 -40.83 98.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 175.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.408 HD13 HD22 ' C' ' 43' ' ' ASN . 77.1 mt -61.71 -39.54 91.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -58.31 -51.41 69.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.2 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -55.34 -48.51 74.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.283 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.01 -43.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.7 -45.94 85.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.202 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.45 -38.91 85.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.262 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -65.42 -38.57 90.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.9 mt -62.26 -38.75 90.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.207 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.75 -38.04 86.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -77.07 -39.81 48.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.233 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -153.82 95.76 2.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.22 60.67 7.94 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.706 1.604 . . . . 0.0 111.212 -175.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.4 p -76.75 158.74 30.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.63 -36.53 74.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.221 175.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.44 -48.79 79.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.216 177.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -67.25 -35.41 79.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.179 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.4 mt -65.17 -49.09 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.59 -33.29 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.295 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.56 -36.19 78.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.211 173.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.73 90.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.42 -46.43 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.208 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -50.83 -53.95 27.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.72 83.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.24 -46.25 87.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.55 -43.85 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.03 -40.32 97.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.265 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -63.11 -40.94 99.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.25 -36.22 79.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.0 -41.51 87.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.252 175.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.85 -37.77 79.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.183 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.95 -50.96 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.2 -45.44 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.242 -175.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -66.33 -39.69 89.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.17 97.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.212 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.51 -47.1 93.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.203 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -57.77 -42.67 84.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.26 95.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.248 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.405 HG21 ' CG2' ' C' ' 53' ' ' ILE . 96.3 mt -62.27 -40.46 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.92 -48.0 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.207 175.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.15 -42.11 89.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.18 -41.48 98.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.278 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -64.58 -38.09 89.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.268 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.73 89.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 175.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -64.92 -42.51 94.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.85 -50.24 81.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.237 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.88 -43.88 99.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.211 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -63.97 -39.13 93.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.32 -37.44 85.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.18 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -59.67 -37.91 80.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.235 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.63 -42.35 99.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.32 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.62 87.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 177.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.96 -44.12 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.61 -40.22 88.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.189 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.58 -39.73 85.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 175.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.47 -37.89 87.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 174.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.27 -49.97 74.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 172.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.31 -33.53 69.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 -177.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.27 -32.21 69.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.3 pt -117.32 -9.88 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.2 -172.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.97 1.72 71.09 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.74 142.35 48.14 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.1 -12.7 68.9 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 80' ' ' ILE . 88.3 m -110.66 136.22 50.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.347 . . . . 0.0 111.209 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.8 -27.18 16.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.219 -170.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.429 ' H ' HG22 ' A' ' 78' ' ' THR . 11.0 tp -54.07 -23.47 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 -178.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.461 ' C ' HD12 ' A' ' 81' ' ' LEU . 3.7 pp -59.41 -24.32 63.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 -175.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -73.05 -40.08 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.173 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.29 -34.53 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.212 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.46 -44.11 89.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.01 -38.49 91.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -61.68 -40.2 94.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -61.79 -36.6 81.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.26 -40.87 91.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.245 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.82 -41.19 95.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -62.22 -41.73 98.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.33 -39.78 92.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.2 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.36 -44.91 84.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 179.035 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.789 0.328 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.94 -34.66 76.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.147 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.78 -47.08 79.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.225 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -65.06 -41.41 95.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -61.39 -40.5 94.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.281 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 72.5 m -61.61 -39.44 91.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.19 -42.49 86.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.235 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.48 -35.72 81.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -63.0 -40.87 99.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 175.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.77 -39.5 91.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -58.29 -51.39 69.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.214 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -55.31 -48.54 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.306 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.99 -43.3 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 55.5 tp -57.79 -45.9 85.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.38 -38.97 85.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.276 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -65.41 -38.57 90.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 176.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 mt -62.29 -38.69 90.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.9 -37.97 86.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -77.03 -39.85 48.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -153.8 95.84 2.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -176.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -80.25 60.64 7.92 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.785 1.657 . . . . 0.0 111.194 -175.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 94.4 p -76.77 158.74 30.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.56 -36.58 74.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.273 175.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.41 -48.84 79.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -67.23 -35.35 79.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.247 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.12 -49.04 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.223 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.68 -33.22 52.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.263 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.6 -36.18 78.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 173.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.4 -45.63 90.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.243 174.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.42 -46.45 95.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -50.81 -53.91 28.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 174.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.74 84.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.2 mt -66.22 -46.28 87.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.51 -43.83 98.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.15 -40.27 97.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -63.07 -41.05 99.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 174.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.22 -36.24 79.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.227 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.62 87.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.252 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.81 -37.8 79.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.214 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.92 -50.95 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.25 -45.45 98.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 -175.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -66.17 -39.76 90.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.03 97.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.58 -47.11 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -57.8 -42.59 84.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.189 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.31 95.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ILE . . . . . 0.402 HG21 ' CG2' ' A' ' 53' ' ' ILE . 96.4 mt -62.25 -40.5 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.1 t -57.78 -48.07 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.248 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.12 -42.15 89.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.14 -41.52 98.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -64.57 -38.07 89.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.265 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.53 -43.76 89.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.188 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -64.9 -42.54 94.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 176.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 78.7 mt -60.9 -50.21 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 71.3 t -62.8 -43.96 99.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -63.92 -39.14 93.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.217 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -66.21 -37.47 85.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.76 -37.88 80.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.63 -42.4 99.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.311 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.66 87.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.9 -44.09 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.221 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.65 -40.21 88.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.226 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.54 -39.78 85.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.86 87.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.235 174.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.2 -50.01 74.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.234 172.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.28 -33.59 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 -177.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.18 -32.21 69.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 47.6 pt -117.34 -9.85 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.195 -172.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.02 1.72 70.95 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.7 142.42 48.2 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -176.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.04 -12.64 69.03 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.431 HG22 ' H ' ' B' ' 80' ' ' ILE . 88.2 m -110.69 136.21 50.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 111.222 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.77 -27.28 17.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.159 -170.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.431 ' H ' HG22 ' B' ' 78' ' ' THR . 11.0 tp -54.05 -23.45 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.47 ' C ' HD12 ' B' ' 81' ' ' LEU . 3.7 pp -59.45 -24.28 63.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.188 -175.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -73.13 -40.07 65.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.22 -34.68 75.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.36 -44.11 88.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 176.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.98 -38.55 91.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.198 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -61.69 -40.08 93.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -61.84 -36.59 81.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 89.8 mt -60.29 -40.9 92.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.24 177.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.76 -41.22 96.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.17 -41.81 98.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 92.0 mt -65.28 -39.8 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.214 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.28 -44.91 84.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.28 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 179.058 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.842 0.353 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.92 -34.61 76.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 tp -64.87 -47.04 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.21 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.94 -41.52 95.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -61.42 -40.44 94.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.245 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 72.3 m -61.65 -39.42 91.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 57.2 tp -58.17 -42.51 86.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 177.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.52 -35.68 81.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -63.07 -40.77 98.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 77.2 mt -61.76 -39.53 91.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -58.17 -51.49 69.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.236 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -55.33 -48.62 73.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.225 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.92 -43.21 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 55.4 tp -57.83 -45.93 85.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.37 -39.01 85.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.234 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -65.36 -38.6 90.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 47.8 mt -62.23 -38.76 90.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.188 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.79 -37.92 86.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -77.19 -39.78 47.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -153.82 95.76 2.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -176.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -80.22 60.63 7.92 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.739 1.626 . . . . 0.0 111.19 -175.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -76.79 158.82 30.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.209 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.55 -36.63 74.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.229 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.42 -48.86 79.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -67.26 -35.27 79.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.25 -49.07 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.64 -33.29 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.221 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.5 -36.23 78.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 173.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.58 91.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.264 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 93.0 mt -60.44 -46.48 95.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -50.75 -53.89 27.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.65 84.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.24 -46.36 87.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.44 -43.81 98.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.265 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.14 -40.25 97.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.188 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -63.14 -41.02 99.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 174.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' ASN . . . . . 0.408 HD22 HD13 ' A' ' 16' ' ' LEU . 91.6 m-20 -61.22 -36.27 79.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.97 -41.54 87.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.81 -37.82 79.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.179 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 74.5 mt -61.91 -50.97 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.2 -45.48 98.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 -175.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -66.24 -39.72 89.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.06 97.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.49 -47.14 92.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -57.85 -42.59 84.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.38 95.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.174 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.405 ' CG2' HG21 ' A' ' 53' ' ' ILE . 96.3 mt -62.16 -40.49 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.265 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.6 t -57.82 -48.11 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 175.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -59.08 -42.04 89.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.291 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.21 -41.59 98.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.22 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -64.46 -38.11 89.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.229 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.69 89.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 175.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -64.92 -42.45 94.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.278 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 79.0 mt -60.94 -50.18 81.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.91 -43.92 99.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -63.85 -39.15 93.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.221 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.33 -37.4 85.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.73 -37.84 80.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.249 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.68 -42.4 99.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.261 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.21 -38.65 87.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.95 -44.11 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 92.9 mt -64.66 -40.14 88.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.63 -39.65 85.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.205 175.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.91 87.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 174.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.22 -49.99 74.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.187 172.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.24 -33.54 69.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.271 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.29 -32.16 69.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 47.4 pt -117.38 -9.89 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.207 -172.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.99 1.74 71.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.75 142.39 48.16 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -176.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.1 -12.67 68.97 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.426 HG22 ' H ' ' C' ' 80' ' ' ILE . 87.9 m -110.72 136.22 50.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 111.188 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.75 -27.33 17.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -170.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 80' ' ' ILE . . . . . 0.426 ' H ' HG22 ' C' ' 78' ' ' THR . 11.0 tp -54.03 -23.36 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -177.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 81' ' ' LEU . . . . . 0.461 HD12 ' C ' ' C' ' 81' ' ' LEU . 3.7 pp -59.49 -24.33 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -175.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -73.07 -39.96 65.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -69.3 -34.61 74.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.46 -44.09 89.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 176.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.0 -38.52 91.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -61.56 -40.19 93.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.231 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -61.81 -36.68 81.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.21 -40.84 91.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.275 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.84 -41.19 95.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.25 -41.73 98.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.32 -39.78 92.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.258 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.28 -44.93 84.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.312 175.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 179.016 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.784 0.326 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.11 -31.64 72.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.277 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.16 -41.13 86.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.264 175.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.92 -43.36 79.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -52.82 -43.17 65.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.249 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.419 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 69.0 m -56.32 -43.44 78.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 177.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.84 -38.76 92.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.17 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.43 -37.59 85.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HE ' ' HA ' ' A' ' 12' ' ' SER . 74.0 mtm180 -62.68 -41.35 99.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.229 175.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.61 -38.38 90.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.234 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -54.71 -52.33 62.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -57.01 -44.04 82.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.246 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.0 mt -59.68 -44.45 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.237 178.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.82 -42.43 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.158 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.35 -41.55 98.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.234 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.18 -42.42 93.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 175.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.51 -49.32 75.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.249 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.61 -43.1 99.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.52 -41.73 96.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -137.98 80.29 30.4 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -57.96 141.73 96.24 Favored 'Trans proline' 0 C--N 1.327 -0.571 0 C-N-CA 121.667 1.578 . . . . 0.0 111.209 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.3 p -162.19 153.12 17.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.191 175.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.7 -37.6 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.236 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -59.22 -53.02 63.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -71.64 -31.56 66.98 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.049 -174.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.8 -48.77 86.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.778 0.323 . . . . 0.0 111.197 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.62 -45.35 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.71 -41.33 98.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.29 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.12 99.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.87 -46.23 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.26 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.88 -45.92 89.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 175.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -41.43 84.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.21 -175.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -58.2 -45.68 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.291 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 80.7 t -66.61 -43.07 90.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.233 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.45 -35.13 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -79.17 -39.82 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.411 ' O ' HG12 ' A' ' 46' ' ' ILE . 90.6 m-20 -58.32 -34.37 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.83 -32.1 51.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.285 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -78.77 -36.31 43.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 -175.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 43' ' ' ASN . 4.7 pt -79.96 -28.88 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 -177.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.84 -39.3 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -63.17 -36.99 85.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 175.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.35 -31.72 72.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.181 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 92.4 mt -68.83 -48.22 71.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 171.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -63.25 -47.88 80.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 -175.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.8 -35.44 72.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 -174.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.9 mt -72.26 -36.66 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -176.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.23 -45.04 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 173.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.76 -40.35 97.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.249 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -58.24 -48.09 81.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.194 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.428 ' HA ' HD22 ' A' ' 57' ' ' ASN . 7.1 m120 -53.98 -47.23 71.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.1 -42.35 85.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -69.1 -38.84 79.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.53 -45.41 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.223 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.64 -45.54 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -63.12 -39.34 94.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.262 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.45 -42.41 92.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -60.48 -43.24 97.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -63.11 -42.4 99.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.246 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.24 89.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 92.4 mt -61.46 -46.48 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.232 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.89 -45.79 97.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.305 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.55 -39.1 82.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.213 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.52 -41.51 97.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.35 -39.08 93.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.72 -40.03 84.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 174.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.4 -37.34 80.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -177.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.5 tt -86.86 1.59 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.03 19.8 60.45 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.73 16.26 56.33 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.91 148.44 43.05 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -173.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 47.4 p -132.64 168.74 17.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.423 ' NZ ' ' OE2' ' A' ' 83' ' ' GLU . 66.1 tttm -54.16 -45.87 72.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 173.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.26 -46.68 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.4 mt -60.63 -42.5 97.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -177.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.86 -46.02 85.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.247 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.423 ' OE2' ' NZ ' ' A' ' 79' ' ' LYS . 97.0 mt-10 -61.35 -41.77 97.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.24 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 37.6 mmt -62.77 -43.03 99.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -57.0 -47.75 80.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 177.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.15 -40.87 86.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.162 -177.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.47 -41.63 88.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.44 -40.79 98.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.22 -50.0 73.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.61 -34.57 75.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.0 tp -49.2 -39.48 29.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -56.07 -28.39 57.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.231 -172.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.203 -176.89 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.804 0.335 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.1 -31.68 72.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.244 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -67.14 -41.14 86.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.283 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.97 -43.23 79.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.182 174.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -52.99 -43.05 66.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' SER . . . . . 0.422 ' HA ' ' HE ' ' B' ' 15' ' ' ARG . 68.7 m -56.46 -43.37 79.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 177.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.8 -38.7 91.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.278 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.46 -37.62 85.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.422 ' HE ' ' HA ' ' B' ' 12' ' ' SER . 74.0 mtm180 -62.62 -41.39 98.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.255 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.63 -38.36 90.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.238 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -54.62 -52.45 62.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -56.89 -44.15 82.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 92.0 mt -59.75 -44.39 93.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.75 -42.52 97.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.19 -41.7 98.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.267 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.15 -42.41 93.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 175.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.0 tp -62.51 -49.4 75.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.183 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.51 -43.07 99.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.28 -174.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.63 -41.63 96.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.227 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -138.09 80.31 29.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -57.93 141.76 96.19 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.673 1.582 . . . . 0.0 111.181 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 86.2 p -162.26 153.14 17.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 175.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -37.62 73.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -59.2 -53.0 63.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -71.6 -31.55 67.04 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.066 -174.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.82 -48.86 86.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.814 0.34 . . . . 0.0 111.179 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.52 -45.41 97.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.58 -41.41 98.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.27 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.1 99.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.247 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.83 -46.28 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.247 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.84 -45.92 88.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.164 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.42 -41.41 84.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -175.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.16 -45.8 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.63 -43.03 90.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.44 -35.13 75.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.215 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -79.11 -39.9 32.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.198 177.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.409 ' O ' HG12 ' B' ' 46' ' ' ILE . 90.6 m-20 -58.35 -34.37 70.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 177.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.75 -32.19 51.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.256 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -78.79 -36.33 42.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.409 HG12 ' O ' ' B' ' 43' ' ' ASN . 4.7 pt -79.93 -28.85 12.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.274 -178.022 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.85 -39.29 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.196 175.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -63.1 -37.05 85.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -31.61 72.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.198 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 92.3 mt -68.84 -48.2 72.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -63.32 -47.82 80.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 -175.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.52 72.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 96.9 mt -72.2 -36.67 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -176.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.5 t -52.23 -45.0 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.231 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.7 -40.46 97.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 176.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -58.21 -48.08 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.256 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -53.96 -47.25 71.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.04 -42.47 85.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -68.96 -38.95 79.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 78.5 mt -62.45 -45.46 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.56 -45.55 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.231 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -63.13 -39.44 94.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.255 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.35 -42.5 92.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.166 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -60.48 -43.16 97.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -63.12 -42.45 99.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.233 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.24 89.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.47 -46.44 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.278 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.99 -45.79 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.195 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.61 -39.04 82.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.2 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.54 97.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 175.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.41 -39.02 93.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.77 -39.97 84.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.25 80.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 -177.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 15.4 tt -86.9 1.61 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.241 -176.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.03 19.77 60.5 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.71 16.23 56.39 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.94 148.44 43.0 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -173.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 47.5 p -132.65 168.69 17.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.356 . . . . 0.0 111.205 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -54.15 -45.81 72.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.215 173.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -46.56 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.65 -42.55 97.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.82 -46.04 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.38 -41.77 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.212 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 37.6 mmt -62.77 -43.09 99.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.165 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -56.87 -47.8 79.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.09 -40.89 87.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.46 -41.67 88.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.45 -40.74 97.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.225 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.21 -50.04 73.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.69 -34.42 75.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 tp -49.35 -39.43 31.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -55.95 -28.52 57.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -172.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 -176.844 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.811 0.339 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.09 -31.7 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.12 -41.17 86.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.294 175.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.96 -43.23 79.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 174.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -53.0 -43.05 66.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.421 ' HA ' ' HE ' ' C' ' 15' ' ' ARG . 68.7 m -56.41 -43.42 79.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 177.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.79 -38.78 92.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.37 -37.58 85.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.238 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' ARG . . . . . 0.421 ' HE ' ' HA ' ' C' ' 12' ' ' SER . 74.0 mtm180 -62.73 -41.37 99.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 175.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.59 -38.37 90.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -54.61 -52.49 62.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.229 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -56.81 -44.24 81.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 91.7 mt -59.7 -44.39 93.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.81 -42.39 97.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.34 -41.63 98.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.198 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.19 -42.35 93.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.59 -49.4 75.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -62.6 -43.03 99.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 -174.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.67 -41.61 95.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -138.01 80.29 30.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 -178.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -57.94 141.78 96.23 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.662 1.575 . . . . 0.0 111.179 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -162.19 153.16 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.77 -37.54 73.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -59.33 -52.94 63.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -71.67 -31.54 66.92 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.038 -174.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.81 -48.76 86.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.786 0.327 . . . . 0.0 111.262 177.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.57 -45.37 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.263 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.68 -41.31 98.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.268 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.11 99.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.205 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.98 -46.19 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.232 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.78 -46.02 88.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.42 -41.24 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.296 -175.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 78.6 mt -58.35 -45.72 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.214 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 80.2 t -66.66 -43.03 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.51 -35.18 75.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -79.04 -39.82 32.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -58.46 -34.32 70.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.87 -32.19 52.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -78.67 -36.34 43.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.24 -175.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 pt -80.0 -28.81 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.279 -177.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.88 -39.23 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.207 175.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -63.1 -37.07 85.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 175.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.43 -31.7 72.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 174.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 92.1 mt -68.86 -48.15 72.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 171.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -63.28 -47.89 80.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.7 -35.53 72.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 96.9 mt -72.21 -36.71 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 -176.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.12 -45.1 41.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.76 -40.37 97.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 176.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.25 -48.04 81.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 57' ' ' ASN . . . . . 0.485 HD22 ' HA ' ' C' ' 57' ' ' ASN . 7.1 m120 -54.01 -47.21 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.239 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.36 85.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -69.09 -38.92 79.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 78.8 mt -62.49 -45.34 99.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.262 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.67 -45.53 97.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -63.12 -39.44 94.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.299 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -65.35 -42.49 92.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -60.46 -43.2 97.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 178.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -63.16 -42.4 99.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.22 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.62 -41.29 90.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.41 -46.44 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.245 176.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.04 -45.68 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.261 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.67 -39.04 83.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.193 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.56 97.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 175.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.36 -39.0 93.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.245 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.72 -40.03 84.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 174.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.45 -37.21 80.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.268 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 15.4 tt -86.89 1.52 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.03 19.86 60.35 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.78 16.3 56.22 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.92 148.41 42.98 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -173.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 47.5 p -132.63 168.74 17.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 111.238 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 79' ' ' LYS . . . . . 0.412 ' NZ ' ' OE2' ' C' ' 83' ' ' GLU . 66.1 tttm -54.1 -45.97 71.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 173.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.17 -46.66 95.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.219 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.62 -42.53 97.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.87 -46.02 85.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.229 176.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 83' ' ' GLU . . . . . 0.412 ' OE2' ' NZ ' ' C' ' 79' ' ' LYS . 97.1 mt-10 -61.35 -41.84 97.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.194 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 37.6 mmt -62.74 -43.01 99.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -57.0 -47.75 80.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.1 -40.84 87.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.225 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.5 -41.63 88.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.215 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.49 -40.74 97.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.237 178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.28 -50.02 73.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 176.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.51 -34.47 75.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.26 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 tp -49.42 -39.32 32.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.219 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -56.06 -28.5 57.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -176.895 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.8 0.333 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.75 -38.51 81.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.11 -39.8 94.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.248 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -62.21 -39.67 93.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -64.07 -40.33 96.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.154 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -63.34 -38.29 90.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.07 -39.15 88.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.279 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.96 -36.62 84.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -66.24 -41.94 89.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.15 -39.65 93.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -60.78 -49.93 75.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 174.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -52.08 -50.01 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.195 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.12 -45.54 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.271 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.3 -46.69 82.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.211 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -59.63 -43.43 93.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.17 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.2 -37.79 86.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.249 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.6 -50.17 73.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.278 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.26 -41.05 94.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.231 -176.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.19 -39.19 92.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.176 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -146.92 84.95 7.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -55.25 136.16 72.2 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.785 1.657 . . . . 0.0 111.161 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.0 p -161.78 155.51 21.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.57 -38.23 77.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.215 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.08 -51.74 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.228 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.9 -34.5 76.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 -176.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.52 -48.35 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.268 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.24 -45.17 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -66.5 -35.64 80.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.25 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.7 -49.66 76.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.252 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.77 -44.96 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -50.22 -56.15 12.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 173.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.85 84.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -176.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.37 -47.04 91.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.51 -44.49 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.76 -40.82 98.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.201 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -63.16 -44.95 94.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -58.86 -41.11 86.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.72 -41.09 85.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.04 -39.91 90.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 178.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 91.8 mt -62.44 -47.76 91.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.214 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.0 -45.71 98.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -65.93 -35.71 81.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.87 -53.07 61.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 pt -70.97 -28.03 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 -175.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -62.05 -48.33 80.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.227 175.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.6 96.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.08 -44.26 94.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.207 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.06 -43.7 93.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -62.01 -41.26 97.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.251 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.95 -39.87 95.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 175.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.16 -37.82 88.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.08 80.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.27 -39.3 94.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.064 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.03 -41.13 91.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 175.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.75 -45.65 94.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.7 -43.83 90.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.285 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -57.56 -46.8 83.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.223 174.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.41 -39.44 83.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -59.09 -47.81 83.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 175.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.27 80.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.278 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.7 mt -60.13 -44.93 96.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.61 -44.3 99.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.56 -40.85 96.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.221 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.45 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.0 mt -59.28 -42.99 92.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.231 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -63.21 -36.89 85.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.52 91.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.7 pt -106.52 -23.14 4.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 -169.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.44 22.96 4.1 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -174.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.64 146.31 38.23 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.6 -19.36 52.81 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 88.5 m -62.06 130.31 44.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 111.231 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.88 -42.86 72.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.23 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.3 mm -57.71 -41.54 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.231 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.5 -36.61 79.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.261 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -61.1 -36.06 78.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.32 -36.31 58.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 82.9 mtp -61.06 -29.07 69.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.14 -25.99 62.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.259 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -75.31 -44.09 47.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.155 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.2 -30.65 71.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.199 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.523 ' O ' HD23 ' A' ' 88' ' ' LEU . 10.3 tt -57.83 -29.11 64.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.249 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.08 -45.28 92.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.88 -35.94 72.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.177 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.03 -51.54 69.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.285 175.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.86 -37.66 77.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 -176.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -175.512 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.868 0.366 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.77 -38.58 82.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.06 -39.85 94.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -62.18 -39.76 93.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -63.96 -40.34 96.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.976 0.417 . . . . 0.0 111.224 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -63.37 -38.27 90.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.09 -39.23 89.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.208 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.93 -36.55 84.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -66.31 -41.93 88.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.2 175.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.17 -39.62 93.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -60.77 -49.91 75.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.207 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -52.11 -50.02 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.03 -45.61 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.279 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 56.7 tp -57.31 -46.63 83.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 -177.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.73 -43.32 94.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.229 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.26 -37.78 86.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.223 176.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.63 -50.21 73.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.298 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.14 -41.14 95.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.263 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.07 -39.32 93.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.188 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -146.83 84.91 7.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.185 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -55.24 136.15 72.16 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.679 1.586 . . . . 0.0 111.204 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 95.6 p -161.75 155.59 21.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.2 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.54 -38.34 77.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.94 -51.86 67.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.91 -34.43 76.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -63.56 -48.4 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.234 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.11 -45.3 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.43 -35.59 80.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.82 -49.64 76.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.21 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.75 -44.99 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -50.23 -56.17 12.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.97 84.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.0 mt -64.29 -47.11 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.191 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.43 -44.5 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.243 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.76 -40.85 98.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.201 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -63.09 -44.96 94.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -58.77 -41.25 86.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.64 -41.11 85.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.216 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -66.11 -39.83 90.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.49 -47.79 91.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.158 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.01 -45.59 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.202 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -66.05 -35.7 81.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.09 61.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 pt -71.04 -27.88 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.216 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -62.18 -48.27 80.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.238 175.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.66 96.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 176.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.09 -44.3 94.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.07 -43.7 93.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.204 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -61.89 -41.37 97.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.312 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.84 -39.81 95.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.286 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.31 -37.7 88.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.04 -39.06 80.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.231 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.3 -39.25 94.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.95 -41.12 91.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.73 -45.65 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.22 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -58.68 -43.85 90.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.273 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -57.56 -46.82 83.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 174.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -59.39 -39.5 83.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -58.96 -47.79 83.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.271 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.19 81.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.219 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 67.4 mt -60.12 -44.96 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.66 -44.23 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.175 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.54 -40.82 96.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.236 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.49 -42.47 98.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 52.3 mt -59.23 -43.05 92.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -63.19 -36.88 85.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.83 -38.55 91.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.227 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 39.2 pt -106.43 -23.24 4.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 -169.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.38 22.95 4.11 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.53 146.29 37.85 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -175.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.5 -19.27 53.28 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 88.7 m -62.12 130.28 44.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.795 0.331 . . . . 0.0 111.271 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.8 -43.03 72.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 42.1 mm -57.6 -41.58 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.19 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.48 -36.66 79.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.23 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.01 -36.15 78.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.3 -36.32 58.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 176.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 82.8 mtp -61.02 -29.05 69.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 178.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -58.18 -26.0 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.188 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -75.21 -44.2 47.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.219 174.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.16 -30.62 71.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.208 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.526 HD23 ' O ' ' B' ' 88' ' ' LEU . 10.3 tt -57.83 -29.12 64.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.303 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.07 -45.33 92.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.144 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.89 -35.93 72.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 56.5 tp -58.04 -51.48 69.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.93 -37.63 77.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 -175.457 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 . . . . . 0 CA--C 1.523 -0.087 0 CA-C-O 120.849 0.357 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.76 -38.55 82.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.09 -39.79 94.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -62.25 -39.66 93.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -64.14 -40.18 95.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.22 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -63.44 -38.25 90.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.08 -39.2 88.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.02 -36.49 84.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -66.26 -41.96 89.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.247 175.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.17 -39.7 93.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -60.76 -49.83 75.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -52.24 -49.93 63.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.05 -45.66 83.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.206 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.36 -46.57 83.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -177.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.72 -43.25 94.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.265 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.31 -37.76 86.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.193 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.72 -50.21 73.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.237 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.09 -41.17 95.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.1 -39.2 92.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -146.95 84.86 7.25 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -55.24 136.18 72.24 Favored 'Trans proline' 0 C--N 1.327 -0.57 0 C-N-CA 121.688 1.592 . . . . 0.0 111.193 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 95.4 p -161.83 155.6 21.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.58 -38.23 77.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.251 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.05 -51.81 68.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.162 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.89 -34.5 76.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 80.2 mt -63.53 -48.41 87.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.23 -45.11 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -66.52 -35.61 80.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.266 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.6 76.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.28 173.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.78 -45.02 98.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -50.18 -56.08 12.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.29 173.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.93 84.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 -176.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.37 -47.02 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.23 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.42 -44.6 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.68 -40.82 98.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.26 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -63.16 -44.97 93.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -58.72 -41.15 85.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.67 -41.19 85.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.21 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.02 -39.82 90.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 91.9 mt -62.45 -47.84 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.88 -45.68 98.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.265 -178.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.09 -35.66 81.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.09 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.88 -53.02 62.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.226 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 41.1 pt -71.06 -27.9 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -62.27 -48.21 80.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.164 175.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.63 96.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.0 -44.33 94.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.01 -43.78 93.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.203 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -61.92 -41.33 97.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.256 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.81 -39.95 95.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 175.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.16 -37.7 88.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.04 80.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.31 -39.28 94.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.87 -41.24 91.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.208 175.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 51.7 t -59.68 -45.63 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.7 -43.92 90.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.273 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -57.53 -46.85 83.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.241 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.29 -39.48 83.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.268 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -59.07 -47.72 84.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.247 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.09 80.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.367 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.23 -44.9 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.121 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.72 -44.17 99.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.198 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.57 -40.85 96.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.38 98.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 52.7 mt -59.25 -43.05 92.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.189 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -63.32 -36.78 84.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.52 91.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 39.4 pt -106.53 -23.12 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.173 -169.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.42 22.95 4.1 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.61 146.38 38.0 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.5 -19.37 52.88 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 88.8 m -62.07 130.4 45.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.84 0.352 . . . . 0.0 111.179 177.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.99 -42.92 73.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.141 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 42.3 mm -57.58 -41.6 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.233 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.45 -36.65 79.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.265 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.01 -36.14 78.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.28 -36.38 58.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 176.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 83.0 mtp -60.98 -29.07 69.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -58.18 -25.99 62.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -75.14 -44.26 47.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.12 -30.64 71.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 88' ' ' LEU . . . . . 0.505 ' O ' HD23 ' C' ' 88' ' ' LEU . 10.3 tt -57.88 -29.07 64.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.237 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.12 -45.29 92.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.79 -35.94 72.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.213 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.03 -51.57 69.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.223 175.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.81 -37.7 76.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.228 -176.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -175.495 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.774 0.321 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -58.69 -38.55 78.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.02 -40.97 99.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -61.79 -48.37 80.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.248 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -62.97 -38.45 91.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -62.37 -42.41 99.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.229 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.04 -39.55 92.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.183 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.66 -39.62 94.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.166 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -68.98 -38.0 79.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.223 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.38 -41.3 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.39 -49.81 76.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 173.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -53.42 -50.11 65.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.64 -45.15 89.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.52 -47.48 81.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.78 -42.3 93.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.24 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.38 -38.37 87.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.73 -49.97 74.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.221 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.31 -41.16 96.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.95 -42.33 76.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -138.11 80.63 28.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -54.28 135.49 65.27 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.736 1.624 . . . . 0.0 111.2 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.1 p -163.17 156.19 19.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.47 -38.4 77.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.199 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.09 -52.5 65.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -67.06 -34.1 76.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.277 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -63.61 -48.97 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.1 t -64.34 -44.13 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.64 -37.94 89.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.08 -49.22 78.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 174.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.81 -44.68 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.179 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -53.1 -54.63 32.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.67 -37.54 81.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -64.47 -47.16 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.87 -43.65 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.19 -41.91 98.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -63.0 -43.61 98.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -59.07 -41.65 88.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.197 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.01 91.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.202 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -64.71 -41.52 95.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.64 -50.47 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.01 -42.71 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.181 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -59.26 -48.17 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.24 -41.48 93.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.0 mt -61.26 -41.23 88.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -47.82 -52.38 19.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.212 173.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.61 85.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.78 -44.29 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.91 -42.58 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.34 -41.22 96.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.05 -48.63 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 172.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.28 -38.28 83.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.211 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.16 95.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -64.59 -37.63 88.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.247 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.466 HG23 HD21 ' C' ' 64' ' ' ASN . 79.9 mt -62.21 -43.46 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.23 -44.36 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.1 -36.93 85.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.213 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.64 -43.93 95.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.205 175.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.458 HD21 HG23 ' B' ' 60' ' ' ILE . 93.6 m-20 -56.33 -45.89 80.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 176.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -55.62 -50.87 68.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.09 -39.49 82.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.93 -46.96 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.18 -42.96 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.225 -178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.64 -43.7 98.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 176.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.24 94.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.226 174.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.54 -49.66 76.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.32 -41.57 89.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.32 -36.18 72.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 -175.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 pt -101.91 5.85 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.209 -178.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.23 -118.47 1.99 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 -173.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.36 -177.25 45.21 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.63 126.6 9.96 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.1 p -134.29 162.29 32.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.153 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' NZ ' ' OE2' ' A' ' 83' ' ' GLU . 65.3 tttm -55.52 -44.85 77.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 172.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.44 -42.54 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.72 -49.12 66.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.235 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.11 -46.99 78.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' OE2' ' NZ ' ' A' ' 79' ' ' LYS . 97.8 mt-10 -62.28 -39.81 94.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 -178.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 72.3 mtm -64.17 -41.29 97.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.87 -33.44 75.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.235 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.63 -39.42 88.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 172.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -64.23 -35.57 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.7 mt -58.36 -39.36 79.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.26 177.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.52 -44.35 96.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.48 -42.08 96.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.47 -39.28 93.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -72.02 -45.58 60.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.096 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.736 0.303 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.64 -38.55 78.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 -175.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.96 -41.0 99.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.219 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' B' ' 14' ' ' GLU . 64.4 tttm -61.74 -48.42 80.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -62.99 -38.43 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -62.37 -42.41 99.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.211 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.03 -39.55 92.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.205 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' B' ' 10' ' ' LYS . 98.5 mt-10 -62.71 -39.56 94.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 177.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -68.98 -38.05 79.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 177.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 61.5 mt -62.3 -41.3 98.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.236 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.44 -49.82 76.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -53.33 -50.2 65.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.6 -45.11 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.25 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.54 -47.46 81.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 -177.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.72 -42.38 92.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.38 -38.41 87.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 175.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.67 -50.03 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.25 -41.18 97.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.96 -42.32 76.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -138.05 80.6 29.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -54.25 135.53 65.29 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.719 1.613 . . . . 0.0 111.196 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.3 p -163.21 156.2 18.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.247 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.44 -38.39 77.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.186 177.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.18 -52.46 65.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -67.04 -34.12 77.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.264 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.63 -49.0 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.6 t -64.27 -44.18 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.65 -37.92 89.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.02 -49.22 78.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 174.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.83 -44.7 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -53.05 -54.6 33.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.57 82.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.4 -47.21 90.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.201 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.86 -43.62 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.12 -41.97 98.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.199 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -63.0 -43.55 98.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.206 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -59.16 -41.55 88.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 178.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.01 92.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.207 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -64.73 -41.48 95.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.56 -50.53 80.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.98 -42.71 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -59.28 -48.14 82.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.46 93.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.19 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 67.8 mt -61.27 -41.22 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -47.76 -52.42 18.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 173.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.57 85.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.78 -44.29 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.195 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.89 -42.66 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.24 -41.26 96.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.192 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.03 -48.61 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 172.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.37 -38.24 83.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.203 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.31 -42.14 94.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.248 177.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -64.7 -37.56 87.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.243 177.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ILE . . . . . 0.458 HG23 HD21 ' A' ' 64' ' ' ASN . 80.1 mt -62.23 -43.45 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.13 -44.43 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.08 -36.97 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.197 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.65 -43.84 95.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.236 175.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.457 HD21 HG23 ' C' ' 60' ' ' ILE . 93.6 m-20 -56.39 -45.89 80.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 176.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -55.6 -50.9 68.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 176.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.46 82.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.154 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.97 -46.97 92.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.11 -43.0 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.198 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.64 -43.63 98.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.22 -39.3 94.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.52 -49.64 76.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.36 -41.5 89.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.19 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.38 -36.2 73.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 -175.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 pt -101.88 5.87 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.229 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.23 -118.47 1.99 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -173.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.36 -177.23 45.2 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.62 126.54 9.94 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 60.7 p -134.28 162.29 32.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.356 . . . . 0.0 111.146 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' LYS . . . . . 0.434 ' NZ ' ' OE2' ' B' ' 83' ' ' GLU . 65.3 tttm -55.48 -44.82 76.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.227 172.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.48 -42.59 96.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 58.1 tp -52.7 -49.08 66.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.272 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.18 -46.98 79.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.434 ' OE2' ' NZ ' ' B' ' 79' ' ' LYS . 97.8 mt-10 -62.29 -39.79 94.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.235 -178.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 72.3 mtm -64.16 -41.21 97.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.91 -33.46 75.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.217 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.57 -39.45 88.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 172.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.2 -35.56 81.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.45 -39.34 79.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.51 -44.29 96.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.215 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.56 -42.06 95.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.46 -39.25 93.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.189 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -72.13 -45.49 60.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.094 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.749 0.309 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.65 -38.6 78.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -175.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.91 -41.02 99.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -61.81 -48.37 80.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.213 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -62.91 -38.48 91.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -62.39 -42.42 99.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.219 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.96 -39.6 92.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.226 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.6 -39.65 94.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.173 177.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -68.96 -38.12 79.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.3 -41.33 98.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.39 -49.82 76.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.23 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -53.4 -50.08 65.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.197 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.73 -45.09 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 58.1 tp -57.53 -47.43 82.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.207 -177.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.79 -42.35 93.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.4 -38.37 87.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.74 -50.03 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.25 -41.16 97.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.174 -175.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.96 -42.34 76.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -138.07 80.61 28.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -54.29 135.52 65.46 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.741 1.628 . . . . 0.0 111.208 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -163.2 156.18 19.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.43 -38.39 77.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.202 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.2 -52.41 65.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -67.07 -34.13 76.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.261 -176.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.62 -48.98 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.27 -44.18 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.215 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.68 -37.87 89.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.07 -49.22 78.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.82 -44.66 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -53.17 -54.55 34.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.59 82.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.37 -47.22 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.86 -43.64 96.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.17 -41.88 98.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -63.03 -43.59 98.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -59.1 -41.58 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.241 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.0 91.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.228 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -64.75 -41.53 95.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.55 -50.54 79.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.251 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 79.4 t -63.91 -42.76 96.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.218 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -59.23 -48.18 82.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.46 93.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 67.9 mt -61.19 -41.3 89.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -47.69 -52.43 18.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.258 173.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.66 -38.68 85.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 91.2 mt -64.73 -44.29 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.88 -42.65 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.27 -41.22 96.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.221 177.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.09 -48.61 79.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 172.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.33 -38.24 83.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.23 95.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.172 177.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -64.56 -37.59 88.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.264 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 60' ' ' ILE . . . . . 0.457 HG23 HD21 ' B' ' 64' ' ' ASN . 79.7 mt -62.29 -43.42 98.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 178.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.2 -44.36 98.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.09 -36.94 85.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.252 177.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.63 -43.91 95.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.218 175.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 64' ' ' ASN . . . . . 0.466 HD21 HG23 ' A' ' 60' ' ' ILE . 93.5 m-20 -56.35 -45.91 80.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 176.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -55.61 -50.91 68.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.01 -39.55 82.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.92 -46.97 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.14 -43.05 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.62 -43.64 98.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.29 94.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.227 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.49 -49.62 76.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.39 -41.51 89.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.34 -36.22 73.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 -175.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 pt -101.9 5.85 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.21 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.22 -118.4 1.99 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -173.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.43 -177.21 45.25 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.66 126.58 9.93 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 60.9 p -134.29 162.29 32.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.125 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 79' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' C' ' 83' ' ' GLU . 65.3 tttm -55.49 -44.83 76.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.27 172.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.47 -42.52 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.76 -49.09 66.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -56.11 -46.98 78.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 83' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' C' ' 79' ' ' LYS . 97.8 mt-10 -62.33 -39.75 94.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.208 -178.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 72.3 mtm -64.2 -41.25 97.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -178.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.88 -33.45 75.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.259 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.6 -39.49 88.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.17 172.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.16 -35.55 81.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.41 -39.35 79.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.212 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.56 -44.28 96.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.52 -42.06 96.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.5 -39.26 93.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -72.07 -45.5 60.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 -179.067 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.74 0.305 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -76.09 -9.37 58.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.219 -174.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.73 -11.93 52.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.203 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.48 ' NZ ' ' OE2' ' A' ' 14' ' ' GLU . 65.3 tttm -67.66 -49.97 60.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -170.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -58.27 -33.67 69.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -174.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.8 m -66.04 -40.3 90.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.99 -39.31 94.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.312 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.48 ' OE2' ' NZ ' ' A' ' 10' ' ' LYS . 99.0 mt-10 -62.66 -43.09 99.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.247 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.79 -40.5 92.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 176.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.0 -44.12 96.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.223 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -56.59 -48.58 77.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.224 176.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.8 -44.81 70.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.212 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.62 -44.41 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.81 -48.3 75.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.26 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.32 -41.67 89.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -64.38 -39.23 93.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.93 -50.09 74.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.186 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.33 -40.94 94.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 -175.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.12 -39.06 92.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -146.41 84.11 8.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -55.2 135.43 68.9 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.691 1.594 . . . . 0.0 111.196 -178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.5 p -162.48 156.85 21.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.172 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.17 -38.12 76.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.237 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.6 -52.51 65.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -67.22 -33.03 74.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.258 -175.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.83 -49.02 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.203 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.9 t -65.21 -43.24 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -64.79 -38.71 91.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.6 -48.21 81.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 174.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.54 -45.93 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.253 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -54.76 -51.3 66.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.181 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.21 89.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.244 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.409 HG23 HD21 ' C' ' 43' ' ' ASN . 69.7 mt -61.9 -43.24 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.93 -43.1 95.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.3 -39.0 88.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -65.25 -47.5 76.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -56.05 -42.57 76.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.46 77.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.19 -38.15 89.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.232 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.47 -47.86 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.7 t -62.14 -44.39 98.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.99 -40.6 89.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.214 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.6 94.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.5 mt -62.55 -42.99 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -59.52 -38.36 80.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.82 -54.72 23.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.3 pt -70.56 -28.9 36.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -167.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.28 -34.51 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.207 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -69.61 -36.37 76.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 173.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.83 -38.55 91.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.176 173.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.5 -40.9 93.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 176.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.5 -39.36 87.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.248 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.24 -38.43 90.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.186 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.1 mt -61.8 -43.74 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.3 t -60.59 -44.51 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.26 175.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -61.74 -40.02 93.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.01 -42.76 99.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.1 -40.76 94.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -59.62 -44.45 93.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.285 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.65 89.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.206 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.54 -46.76 95.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.87 -45.18 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.233 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.8 -41.44 67.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.13 97.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.183 174.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.75 -31.93 72.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -57.5 -27.46 62.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.94 -32.19 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.454 ' C ' HD12 ' A' ' 74' ' ' ILE . 2.9 pp -121.51 -3.31 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -175.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.46 -24.36 7.51 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.22 144.92 48.7 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -174.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.92 -13.31 66.3 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 54.7 p -123.02 173.8 7.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.214 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -59.38 -32.8 70.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 -169.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 17.3 tt -56.54 -25.32 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.56 -45.33 94.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.44 -37.83 88.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -176.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -65.46 -39.85 92.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.99 -36.59 80.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.38 -42.17 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.253 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -64.02 -39.62 94.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.218 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -63.97 -39.08 93.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.23 -40.56 90.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.206 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.16 -43.49 95.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -62.19 -40.87 97.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.18 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.0 mt -61.73 -46.33 90.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.76 -39.65 81.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 177.912 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.748 0.308 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -76.08 -9.4 58.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 -174.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.2 mt -85.77 -11.9 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 174.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.475 ' NZ ' ' OE2' ' B' ' 14' ' ' GLU . 65.3 tttm -67.71 -49.94 60.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.21 -170.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -58.18 -33.79 69.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -174.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 73.6 m -66.03 -40.21 90.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.06 -39.27 94.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.256 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.475 ' OE2' ' NZ ' ' B' ' 10' ' ' LYS . 99.0 mt-10 -62.71 -43.08 99.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.79 -40.47 91.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 176.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 46.8 tp -63.04 -44.07 96.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -56.56 -48.66 76.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.79 -44.69 70.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.267 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.66 -44.43 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 59.0 tp -55.79 -48.33 75.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.27 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.28 -41.72 89.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.183 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -64.28 -39.32 93.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.288 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.92 -50.07 74.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.196 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.41 -40.91 93.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.06 -39.08 92.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.253 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -146.43 84.15 7.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -55.22 135.43 68.9 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.647 1.565 . . . . 0.0 111.235 -178.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 94.1 p -162.43 156.89 21.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.27 -38.14 76.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.62 -52.43 65.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -67.33 -32.93 74.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.24 -175.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.86 -48.95 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 64.9 t -65.27 -43.26 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -64.77 -38.77 92.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.25 81.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.165 174.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.44 -45.95 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.268 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -54.84 -51.29 66.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.15 89.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.231 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.88 -43.27 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.9 -43.07 94.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.28 -39.03 88.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.213 176.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -65.22 -47.55 76.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 177.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.402 HD21 HG23 ' C' ' 39' ' ' ILE . 91.3 m-20 -56.02 -42.6 76.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.214 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.22 -49.43 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -65.18 -38.17 89.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.48 -47.82 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 50.0 t -62.17 -44.32 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.271 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.99 -40.64 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.55 94.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.211 175.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.61 -42.94 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.202 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -59.54 -38.32 80.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.213 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.81 -54.76 22.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 31.2 pt -70.42 -28.99 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 -167.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.23 -34.5 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.235 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -69.56 -36.47 76.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 173.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.71 -38.6 91.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.257 173.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.44 -40.85 92.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.3 87.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.314 175.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.24 -38.45 90.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.23 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 85.2 mt -61.84 -43.68 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 56.6 t -60.63 -44.5 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.19 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.73 -40.0 93.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.26 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.0 -42.81 99.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.08 -40.8 95.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -59.64 -44.38 93.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.306 175.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.61 89.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.63 -46.63 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.88 -45.15 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.278 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.78 -41.5 67.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 178.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.19 97.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.203 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.74 -31.94 72.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.181 -176.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -57.57 -27.45 62.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.2 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.458 ' C ' HD12 ' B' ' 74' ' ' ILE . 2.9 pp -121.48 -3.31 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -175.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.52 -24.35 7.48 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.18 144.86 48.68 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -174.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.92 -13.23 66.43 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 55.2 p -123.03 173.89 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.769 0.319 . . . . 0.0 111.231 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -59.43 -32.88 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.225 -169.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 17.3 tt -56.44 -25.35 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.256 -176.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.51 -45.37 94.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.22 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.44 -37.87 88.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 -176.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -65.34 -39.79 92.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.254 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.98 -36.66 80.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.36 -42.18 90.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -64.05 -39.65 94.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -63.88 -39.14 93.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.26 -40.6 90.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.97 -43.62 95.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 177.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.24 -40.82 97.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 61.5 mt -61.69 -46.31 90.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.82 -39.65 81.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.234 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 177.852 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.822 0.344 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -75.96 -9.53 58.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.253 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.65 -11.94 52.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.23 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' LYS . . . . . 0.487 ' NZ ' ' OE2' ' C' ' 14' ' ' GLU . 65.3 tttm -67.63 -50.01 60.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 -170.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -58.25 -33.69 69.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -174.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 73.5 m -66.11 -40.19 90.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.174 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.17 -39.2 93.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' GLU . . . . . 0.487 ' OE2' ' NZ ' ' C' ' 10' ' ' LYS . 99.0 mt-10 -62.68 -43.11 99.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.197 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.77 -40.57 92.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 176.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 46.9 tp -63.0 -44.11 96.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.213 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -56.6 -48.59 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.75 -44.82 70.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.258 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.53 -44.47 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.237 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.77 -48.33 75.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.272 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.32 -41.62 89.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -64.42 -39.2 93.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.252 176.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.0 -50.07 74.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.3 -40.94 94.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.196 -175.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.1 -39.04 92.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.263 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -146.46 84.16 7.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -55.21 135.33 68.47 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.745 1.63 . . . . 0.0 111.191 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 93.8 p -162.43 156.88 21.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.25 -38.15 76.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.63 -52.47 65.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -67.28 -32.96 74.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.268 -175.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 79.2 mt -62.8 -48.99 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.3 -43.23 95.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -64.74 -38.69 91.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.224 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.77 -48.06 82.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 174.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.61 -45.86 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.23 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -54.91 -51.16 66.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.17 90.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.261 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' ILE . . . . . 0.402 HG23 HD21 ' B' ' 43' ' ' ASN . 69.8 mt -61.91 -43.23 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 72.8 t -60.88 -43.11 94.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.29 -39.06 89.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -65.15 -47.55 76.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.246 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' ASN . . . . . 0.409 HD21 HG23 ' A' ' 39' ' ' ILE . 91.4 m-20 -55.97 -42.55 76.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.285 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.4 77.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.232 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.21 -38.14 89.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.238 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.46 -47.79 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.269 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 50.0 t -62.19 -44.39 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.97 -40.61 89.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.173 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.53 94.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.25 175.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 84.5 mt -62.6 -42.93 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.221 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -59.58 -38.28 80.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.85 -54.71 23.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.201 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 31.1 pt -70.56 -28.9 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -167.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.31 -34.52 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.239 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -69.53 -36.43 76.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 173.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.81 -38.55 91.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.176 173.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.49 -40.9 92.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.25 87.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.266 175.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.27 -38.49 90.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.198 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 85.3 mt -61.73 -43.71 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.208 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.66 -44.39 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.268 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.85 -40.02 93.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -62.99 -42.75 99.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -61.09 -40.81 95.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 176.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -59.66 -44.43 93.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.234 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.66 89.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.52 -46.74 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.87 -45.2 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.262 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.73 -41.41 67.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.179 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.85 -42.24 97.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.69 -31.92 72.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -57.61 -27.4 62.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.87 -32.26 70.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.206 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 74' ' ' ILE . . . . . 0.459 ' C ' HD12 ' C' ' 74' ' ' ILE . 2.9 pp -121.5 -3.31 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -175.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.51 -24.34 7.49 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.28 144.9 48.74 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -174.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.94 -13.36 66.22 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 55.6 p -122.99 173.88 7.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.752 0.311 . . . . 0.0 111.234 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -59.46 -32.71 70.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.22 -169.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 17.3 tt -56.61 -25.27 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.227 -176.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.55 -45.35 94.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.44 -37.9 89.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.215 -176.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -65.35 -39.86 92.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.94 -36.59 80.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.4 -42.23 91.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -64.03 -39.65 94.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.212 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.91 -39.18 93.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.14 -40.62 90.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.196 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.04 -43.57 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.24 -40.85 97.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 61.4 mt -61.64 -46.34 90.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.231 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.76 -39.7 81.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 177.981 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.77 0.319 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -66.3 -35.28 79.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.2 tp -55.43 -49.88 71.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.287 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.409 ' NZ ' ' OE2' ' A' ' 14' ' ' GLU . 65.5 tttm -54.57 -49.1 71.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.176 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -59.27 -41.78 89.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 -178.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -63.33 -41.52 98.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.23 -30.07 63.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.409 ' OE2' ' NZ ' ' A' ' 10' ' ' LYS . 97.1 mt-10 -62.18 -41.19 98.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 170.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -70.43 -34.59 72.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.225 175.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 tp -55.06 -45.15 75.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -59.95 -45.97 90.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.21 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.88 -45.13 86.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.255 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.12 -47.28 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.2 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.0 tp -54.44 -54.25 43.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 176.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.7 -37.91 80.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -173.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -67.84 -43.38 79.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.44 -29.22 63.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 -175.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -63.0 -19.41 64.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.276 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.53 -25.31 67.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -153.48 83.89 4.4 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -74.42 61.1 5.1 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.696 1.598 . . . . 0.0 111.233 -171.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -77.25 165.16 24.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.231 170.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.25 -39.31 66.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.84 -49.41 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.429 ' OE1' ' HA ' ' A' ' 31' ' ' GLN . 9.2 mm100 -70.16 -35.46 74.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.154 -175.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.3 mt -65.74 -51.32 63.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 -178.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.6 p -66.68 -27.46 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -62.79 -42.62 99.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.231 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.42 86.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.95 -44.66 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -52.46 -48.83 65.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.41 -40.04 81.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.207 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.3 mt -65.46 -46.64 89.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.88 -45.32 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.202 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.83 -37.92 87.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -69.25 -32.64 71.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.187 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -61.88 -36.6 81.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.7 -36.17 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -67.93 -33.91 75.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.198 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.93 -51.99 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.51 -29.85 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.239 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -63.4 -43.23 98.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.209 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.78 -49.05 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 173.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.0 mt -56.84 -44.52 82.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.235 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -50.34 -50.45 51.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.202 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.15 82.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.25 -43.36 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.267 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.91 -44.34 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -64.61 -39.21 93.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.22 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.91 -40.79 98.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 175.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.66 -38.0 83.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.214 176.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.64 87.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.215 176.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.68 -38.4 89.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.36 -42.58 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.192 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.37 -44.25 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 76.0 mm-40 -64.68 -36.88 85.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 177.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.39 -45.63 92.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 174.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.6 -41.6 86.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -57.43 -53.22 60.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 174.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.38 83.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.238 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.59 -47.81 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.253 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.5 -45.13 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -62.42 -46.35 88.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.265 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.03 93.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.0 tp -60.68 -46.99 88.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.167 -176.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.07 -43.0 99.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 174.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.34 -38.47 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.227 -172.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.509 ' C ' HD12 ' A' ' 74' ' ' ILE . 2.7 pp -96.35 3.53 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -174.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.6 -137.56 4.06 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.46 -165.97 10.88 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.53 143.56 35.69 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.525 HG22 ' H ' ' A' ' 80' ' ' ILE . 40.5 m -154.18 136.24 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 111.129 176.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.473 ' NZ ' ' OE2' ' A' ' 83' ' ' GLU . 64.9 tttm -52.07 -41.24 62.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.225 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.525 ' H ' HG22 ' A' ' 78' ' ' THR . 96.3 mt -61.15 -39.59 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.218 -176.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.1 mt -55.73 -46.1 77.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.74 -37.35 84.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.204 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.473 ' OE2' ' NZ ' ' A' ' 79' ' ' LYS . 98.7 mt-10 -63.54 -40.25 96.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 177.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 73.9 mtm -66.13 -37.01 84.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.21 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -61.36 -37.46 83.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -67.22 -52.85 36.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.231 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.99 -36.08 82.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.8 tp -56.2 -51.96 66.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.4 -45.13 94.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.185 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -64.04 -37.27 86.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.69 -46.64 87.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.231 172.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.438 ' NZ ' ' OE2' ' A' ' 62' ' ' GLU . 60.2 tttp -56.57 -34.34 67.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 -177.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.237 -178.857 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.789 0.328 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.27 -35.24 79.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 43.9 tp -55.52 -49.97 71.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 174.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.449 ' NZ ' ' OE2' ' B' ' 14' ' ' GLU . 65.5 tttm -54.45 -49.11 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -59.29 -41.8 89.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -63.38 -41.4 98.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.209 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 88.4 mt -73.26 -29.99 63.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.22 -176.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.449 ' OE2' ' NZ ' ' B' ' 10' ' ' LYS . 97.1 mt-10 -62.21 -41.16 98.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.181 170.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.4 mmt180 -70.51 -34.57 72.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 175.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 tp -55.14 -45.12 75.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -59.91 -46.05 90.59 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.79 -45.23 86.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.252 175.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.01 -47.37 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 tp -54.39 -54.28 42.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.67 -37.93 80.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -67.82 -43.37 79.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.43 -29.26 63.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -175.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -63.01 -19.4 64.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.234 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.61 -25.22 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.205 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -153.46 83.86 4.41 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 178.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -74.4 61.08 5.08 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.705 1.604 . . . . 0.0 111.242 -171.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 82.9 p -77.16 165.08 25.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.245 170.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.25 -39.19 66.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.31 178.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.85 -49.47 72.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' B' ' 31' ' ' GLN . 9.2 mm100 -70.06 -35.57 74.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.173 -175.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 84.4 mt -65.65 -51.31 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.271 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.68 -27.46 40.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -177.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -62.91 -42.58 99.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 175.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.4 86.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 175.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.96 -44.62 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -52.61 -48.7 66.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.48 -40.04 81.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.4 -46.69 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -58.86 -45.29 91.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.24 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.8 -37.98 87.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -69.22 -32.73 72.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -61.81 -36.55 81.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.275 176.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.13 78.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.199 173.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -67.92 -34.03 75.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.82 -51.99 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.58 -29.81 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.233 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -63.37 -43.28 98.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 174.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 -49.05 76.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.186 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 87.7 mt -56.92 -44.41 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -50.43 -50.45 52.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.222 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.04 82.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.236 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.33 -43.37 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.228 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 56.6 t -60.89 -44.31 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -64.68 -39.27 93.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.207 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.81 -40.75 98.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 175.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.8 -37.9 83.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.6 87.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.24 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.71 -38.37 89.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 177.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.39 -42.53 96.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.255 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.37 -44.34 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.455 ' OE2' ' NZ ' ' B' ' 92' ' ' LYS . 76.1 mm-40 -64.6 -36.83 85.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.274 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.46 -45.48 92.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 174.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -58.8 -41.51 86.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -57.4 -53.21 60.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.168 174.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.42 83.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.56 -47.84 91.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.47 -45.06 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.234 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.49 -46.39 88.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.253 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.03 93.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.7 tp -60.59 -47.05 87.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.265 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.04 -42.95 99.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 173.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.55 80.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -172.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.499 ' C ' HD12 ' B' ' 74' ' ' ILE . 2.7 pp -96.32 3.5 9.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 -174.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.6 -137.59 4.06 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -177.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.43 -165.98 10.89 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.45 143.54 35.78 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.523 HG22 ' H ' ' B' ' 80' ' ' ILE . 40.4 m -154.17 136.18 14.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 111.162 176.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' LYS . . . . . 0.487 ' NZ ' ' OE2' ' B' ' 83' ' ' GLU . 64.9 tttm -51.94 -41.31 61.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.264 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ILE . . . . . 0.523 ' H ' HG22 ' B' ' 78' ' ' THR . 96.3 mt -61.18 -39.57 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.272 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 45.4 mt -55.67 -46.16 77.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -66.65 -37.42 84.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.487 ' OE2' ' NZ ' ' B' ' 79' ' ' LYS . 98.7 mt-10 -63.49 -40.28 96.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.292 176.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 74.0 mtm -66.11 -36.99 84.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.254 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.35 -37.48 83.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.159 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -67.17 -53.04 34.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.89 -35.95 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.23 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 45.6 tp -56.36 -51.95 66.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.217 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.22 -45.27 94.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -64.03 -37.19 86.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.215 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.82 -46.66 86.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.07 172.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.455 ' NZ ' ' OE2' ' B' ' 62' ' ' GLU . 60.2 tttp -56.48 -34.47 66.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -177.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 -178.785 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.781 0.324 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.25 -35.24 79.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 44.2 tp -55.5 -49.93 71.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 174.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' LYS . . . . . 0.448 ' NZ ' ' OE2' ' C' ' 14' ' ' GLU . 65.6 tttm -54.64 -49.01 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -59.35 -41.73 89.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 68.8 m -63.39 -41.44 98.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.141 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.32 -30.03 63.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' GLU . . . . . 0.448 ' OE2' ' NZ ' ' C' ' 10' ' ' LYS . 97.1 mt-10 -62.1 -41.26 98.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 170.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -70.39 -34.62 72.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.231 175.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 66.2 tp -55.11 -45.04 75.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -60.02 -45.97 91.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.86 -45.23 86.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.257 175.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.91 -47.39 89.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.265 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 52.8 tp -54.37 -54.26 42.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.272 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.69 -37.93 80.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.206 -173.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -67.83 -43.36 79.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.43 -29.27 63.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -175.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -63.07 -19.35 64.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.61 -25.2 67.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -153.51 83.84 4.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -74.4 61.07 5.07 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.743 1.629 . . . . 0.0 111.232 -171.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 82.9 p -77.21 165.12 24.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 170.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.19 -39.27 66.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.285 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.87 -49.45 72.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.198 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' C' ' 31' ' ' GLN . 9.2 mm100 -70.18 -35.38 73.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.199 -175.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.74 -51.38 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.62 -27.45 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -62.9 -42.63 99.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.194 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.37 86.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 175.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.05 -44.64 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -52.49 -48.78 65.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.05 81.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.243 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 89.4 mt -65.41 -46.68 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.168 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.8 -45.39 91.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.243 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.75 -37.94 87.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -69.3 -32.68 71.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -61.89 -36.5 81.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.71 -36.21 78.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 173.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -67.91 -33.94 75.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.218 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.89 -52.05 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.217 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -66.56 -29.83 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.4 -43.21 98.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.219 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.98 76.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 87.9 mt -56.89 -44.49 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -50.29 -50.52 50.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.71 -40.08 82.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.29 -43.32 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.275 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.88 -44.38 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -64.59 -39.26 93.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.83 -40.76 98.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 175.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.67 -37.97 83.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.278 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.54 87.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.219 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.76 -38.34 88.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.211 177.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.45 -42.54 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.37 -44.23 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.219 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 62' ' ' GLU . . . . . 0.439 ' OE2' ' NZ ' ' C' ' 92' ' ' LYS . 76.1 mm-40 -64.65 -36.97 85.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 177.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -62.33 -45.6 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 174.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.69 -41.54 86.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.246 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -57.34 -53.24 60.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.39 -38.4 83.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -177.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 86.3 mt -62.53 -47.88 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.46 -45.11 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.192 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.41 -46.43 88.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.233 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.1 93.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 42.7 tp -60.57 -47.01 88.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.307 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.01 -42.96 99.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 173.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.37 -38.49 80.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -172.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 74' ' ' ILE . . . . . 0.505 ' C ' HD12 ' C' ' 74' ' ' ILE . 2.7 pp -96.34 3.46 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 -174.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.61 -137.59 4.06 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.4 -165.86 10.86 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.55 143.55 35.64 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.521 HG22 ' H ' ' C' ' 80' ' ' ILE . 40.8 m -154.2 136.15 14.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.173 176.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 79' ' ' LYS . . . . . 0.461 ' NZ ' ' OE2' ' C' ' 83' ' ' GLU . 64.9 tttm -51.9 -41.38 61.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 80' ' ' ILE . . . . . 0.521 ' H ' HG22 ' C' ' 78' ' ' THR . 96.3 mt -61.06 -39.64 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.266 -176.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 45.1 mt -55.68 -46.12 77.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.68 -37.41 84.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 83' ' ' GLU . . . . . 0.461 ' OE2' ' NZ ' ' C' ' 79' ' ' LYS . 98.7 mt-10 -63.55 -40.21 96.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.236 177.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 74.0 mtm -66.17 -37.01 84.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -61.4 -37.41 83.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -67.23 -52.97 34.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 175.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.82 -36.06 81.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.202 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 45.9 tp -56.26 -51.99 66.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 177.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.3 -45.18 94.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.97 -37.37 87.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.211 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.73 -46.56 87.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 172.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 92' ' ' LYS . . . . . 0.439 ' NZ ' ' OE2' ' C' ' 62' ' ' GLU . 60.2 tttp -56.64 -34.37 67.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -177.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 -178.817 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 120.877 0.37 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -73.83 -40.75 63.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.3 mt -64.43 -40.77 96.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.264 172.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -59.43 -49.7 76.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.176 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -60.15 -39.65 87.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.304 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.4 m -62.44 -41.53 98.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.93 -40.12 96.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.69 -39.21 93.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -64.2 -41.68 96.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.191 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.51 -41.71 94.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.235 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -59.99 -47.82 84.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.166 175.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -52.68 -50.01 64.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.1 mm -70.91 -40.07 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.5 tp -56.5 -47.59 78.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.189 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.83 -40.71 89.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.236 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.26 -40.12 92.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.259 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.4 mt -65.37 -41.16 94.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.78 -36.8 79.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -81.16 -48.27 12.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -139.1 83.62 17.78 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 -173.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.88 141.54 85.39 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.66 1.574 . . . . 0.0 111.231 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.4 t -167.33 145.91 4.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.303 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.3 -32.32 64.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.75 -48.69 79.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -75.6 -31.1 59.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.7 mt -61.97 -47.4 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.25 -40.83 90.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.165 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -61.0 -40.36 93.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 175.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.92 88.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.258 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -60.24 -45.25 96.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -49.86 -54.64 18.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.186 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.73 83.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 86.2 mt -65.0 -47.66 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.71 -44.32 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.186 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.39 -40.56 96.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 177.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -63.01 -44.72 95.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.27 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -59.9 -40.92 90.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.91 -41.2 86.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -64.7 -42.89 94.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.5 mt -63.21 -48.47 87.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.233 -176.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.41 -48.62 84.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.284 -175.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -69.84 -37.35 76.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.243 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.56 85.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.157 177.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.68 -44.23 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.183 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -56.08 -41.12 74.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.76 -36.06 69.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.9 -40.56 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.159 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.8 -40.09 85.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -62.2 -38.66 89.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 174.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.89 -38.05 89.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.261 175.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.58 -38.17 86.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.65 89.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.186 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.23 -39.66 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.0 mt -62.86 -41.68 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.249 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.6 t -56.79 -50.25 75.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.241 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.75 -35.36 79.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.149 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.37 -50.61 69.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 174.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -59.28 -38.99 81.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.201 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.29 -53.56 55.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.256 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.71 -37.2 78.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 94.2 mt -65.48 -48.03 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.196 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.59 -44.0 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.231 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.52 -44.33 96.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.34 93.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.468 ' C ' HD23 ' A' ' 71' ' ' LEU . 7.4 tt -59.73 -49.78 76.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.2 -43.85 78.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.26 177.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.61 69.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 pt -106.38 10.92 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.244 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.17 -177.49 50.8 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -168.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.67 -88.71 1.32 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.85 -173.95 48.97 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.5 p -125.28 20.1 8.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.752 0.311 . . . . 0.0 111.219 -174.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.2 -51.53 8.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 -167.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.1 pt -120.66 24.08 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 tp -64.0 -47.98 78.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.8 -35.83 79.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.195 178.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.93 -44.63 96.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 76.8 mtm -62.18 -41.86 98.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.271 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -68.43 -42.52 78.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.62 -50.1 73.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.285 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.1 -38.25 82.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.41 -50.31 74.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.249 175.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.4 -42.0 93.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.1 -42.42 94.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.8 -45.26 87.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -59.4 -42.77 92.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 178.403 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 120.873 0.368 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -73.65 -40.79 63.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.243 -176.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.48 -40.8 96.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 172.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -59.38 -49.69 76.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.191 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -60.15 -39.67 87.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.234 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -62.45 -41.55 98.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.188 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.92 -40.1 96.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.63 -39.22 93.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.241 177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -64.21 -41.68 96.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.227 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 63.6 mt -60.51 -41.7 94.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.236 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.06 -47.75 84.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -52.65 -50.02 64.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.251 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 48.1 mm -70.99 -39.97 75.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 tp -56.63 -47.52 79.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.77 -40.79 89.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.279 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.22 -40.11 92.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.278 176.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.3 mt -65.38 -41.09 94.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.296 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.8 -36.81 79.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -81.18 -48.14 12.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.271 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -139.2 83.58 17.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 -173.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -55.88 141.55 85.42 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.601 1.534 . . . . 0.0 111.244 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 31.4 t -167.27 145.9 4.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.317 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.38 -32.23 64.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.83 -48.64 79.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -75.6 -31.15 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 -178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.0 mt -61.95 -47.4 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.23 -40.88 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.168 177.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.9 -40.39 92.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.225 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.71 -46.88 88.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.312 175.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -60.34 -45.19 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.191 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -49.86 -54.64 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.89 83.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.24 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.0 -47.69 87.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.123 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.69 -44.31 98.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.33 -40.6 96.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -63.05 -44.64 95.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.336 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -59.96 -40.86 90.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.286 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.27 86.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -64.75 -42.8 94.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 81.4 mt -63.29 -48.56 86.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.188 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 42.3 t -58.31 -48.59 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.285 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -69.87 -37.37 76.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 -177.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.49 85.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 177.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.59 -44.33 89.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.226 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -56.03 -41.12 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.77 -36.06 69.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.83 -40.67 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.126 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.73 -40.13 85.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.099 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.13 -38.68 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.098 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.92 -38.08 89.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -61.49 -38.2 86.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.221 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.73 89.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.229 176.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -64.18 -39.67 94.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 84.9 mt -62.89 -41.7 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 43.3 t -56.8 -50.23 75.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.256 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -66.78 -35.26 79.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.43 -50.74 68.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 174.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -59.16 -39.05 81.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.178 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.23 -53.56 55.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.71 -37.18 78.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.231 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.49 -47.99 84.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.25 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.55 -44.06 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.66 -44.19 96.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.84 -45.43 92.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.466 ' C ' HD23 ' B' ' 71' ' ' LEU . 7.4 tt -59.58 -49.82 76.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.305 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.21 -43.72 78.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.321 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.54 -33.61 70.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -177.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 pt -106.35 10.83 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.186 -177.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.15 -177.58 50.83 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -168.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.58 -88.76 1.33 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.78 -173.9 48.85 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 174.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 70.7 p -125.37 20.12 8.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.347 . . . . 0.0 111.254 -174.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.17 -51.47 8.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.241 -167.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 44.0 pt -120.75 24.11 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.215 -176.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 60.5 tp -63.99 -47.96 78.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.88 -35.74 79.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.199 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.96 -44.65 97.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.285 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 76.9 mtm -62.05 -42.0 98.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.322 177.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -68.24 -42.56 79.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.285 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.7 -50.07 73.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.288 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.0 -38.29 82.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.21 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.43 -50.34 74.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.23 175.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.41 -41.98 93.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 -177.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.99 -42.53 94.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 60.6 tp -64.73 -45.2 87.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -59.51 -42.67 92.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 178.374 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.745 0.307 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -73.75 -40.74 63.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.189 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.49 -40.81 96.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.237 172.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -59.36 -49.63 77.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.259 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -60.16 -39.68 87.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.27 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.5 m -62.53 -41.42 98.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.99 -40.15 96.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.64 -39.2 93.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.216 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -64.17 -41.72 97.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.244 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.43 -41.72 94.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.301 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.05 -47.75 84.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 175.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -52.74 -49.98 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.123 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 48.2 mm -70.97 -39.96 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 -176.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 53.3 tp -56.59 -47.55 79.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.78 -40.81 89.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.194 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.15 -40.16 92.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.309 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 mt -65.35 -41.16 94.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.78 -36.77 79.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.186 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -81.19 -48.14 12.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.279 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -139.18 83.54 17.72 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 -173.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -55.92 141.59 85.68 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.626 1.55 . . . . 0.0 111.272 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 31.4 t -167.36 145.93 4.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.28 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.44 -32.25 64.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.76 -48.64 79.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -75.64 -31.13 59.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.95 -47.37 93.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.27 -40.86 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.159 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -61.01 -40.31 93.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.88 88.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.269 175.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.32 -45.18 96.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -49.93 -54.63 18.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.84 83.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.244 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 86.0 mt -65.04 -47.76 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.52 -44.39 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.34 -40.59 96.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 177.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -62.94 -44.76 95.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.336 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -59.96 -40.86 90.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.256 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.31 86.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -64.71 -42.78 95.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.11 176.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 81.4 mt -63.3 -48.55 86.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.13 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.39 -48.61 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 -175.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -69.81 -37.38 76.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.37 -47.57 85.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.183 177.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 79.2 mt -58.53 -44.4 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.19 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -55.97 -41.06 74.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.209 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.87 -35.96 69.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.93 -40.66 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 70.8 t -61.68 -40.19 85.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.095 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.12 -38.63 89.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.134 174.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.95 -38.01 89.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.245 176.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -61.52 -38.21 86.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.73 89.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.26 -39.55 94.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 175.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.93 -41.73 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 43.6 t -56.68 -50.3 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.264 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.77 -35.29 79.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.43 -50.64 68.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.276 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -59.17 -39.01 81.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.26 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.23 -53.65 54.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.205 176.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.67 -37.2 78.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.168 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 94.1 mt -65.46 -48.03 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.59 -44.03 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.58 -44.23 96.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.255 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.31 93.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 71' ' ' LEU . . . . . 0.467 ' C ' HD23 ' C' ' 71' ' ' LEU . 7.4 tt -59.74 -49.8 76.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 -178.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.18 -43.79 78.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.287 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.55 -33.56 70.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 pt -106.35 10.82 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.166 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.2 -177.56 50.78 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -168.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.6 -88.71 1.32 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.84 -173.95 48.96 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 174.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 69.5 p -125.31 20.12 8.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.863 0.363 . . . . 0.0 111.256 -174.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.24 -51.48 8.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -167.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 44.0 pt -120.73 24.2 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.233 -176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 60.2 tp -64.02 -47.98 78.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.88 -35.71 79.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.06 -44.58 97.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.257 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 76.8 mtm -62.16 -41.92 98.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.248 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -68.31 -42.53 79.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.252 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.71 -50.08 73.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.236 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.05 -38.22 82.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.198 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.48 -50.37 74.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 175.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.28 -42.07 93.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.01 -42.44 94.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.212 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.78 -45.23 87.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -59.49 -42.73 92.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 178.355 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.843 0.354 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.4 -37.94 87.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.261 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.66 -42.73 95.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.242 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -65.28 -39.83 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -57.01 -47.96 79.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.182 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.7 m -60.54 -40.13 90.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.1 mt -62.06 -40.32 95.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.218 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.31 -37.43 87.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -64.03 -42.88 96.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.28 174.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.55 -39.04 92.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.211 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -57.26 -50.75 71.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -58.48 -43.43 88.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.75 -42.73 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.8 mt -59.29 -43.93 92.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.241 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.46 -43.9 96.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.208 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.52 -38.18 86.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.7 tp -64.43 -47.62 78.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.73 -42.01 78.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.245 -176.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.99 -41.63 86.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -137.45 79.14 36.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.211 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -54.56 134.89 64.28 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.718 1.612 . . . . 0.0 111.232 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.9 p -165.33 156.14 13.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.53 -37.55 75.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.184 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.61 -52.35 65.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.226 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -67.39 -35.27 78.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -177.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -63.35 -49.28 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.23 -45.58 95.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.31 -39.85 95.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.39 86.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 176.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.1 mt -61.69 -46.9 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.255 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.98 -47.15 83.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.249 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.29 83.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.09 -44.7 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.267 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.35 -42.65 94.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.267 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -58.64 -47.09 85.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.222 174.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -57.76 -43.81 85.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.236 176.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -60.19 -40.35 89.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.3 -41.48 89.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -65.37 -40.11 93.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.0 mt -62.23 -50.72 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.54 -45.81 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.258 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -64.07 -39.46 94.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.193 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.78 84.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.23 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.4 mt -57.45 -44.62 84.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -54.85 -46.06 74.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.53 76.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.92 -46.1 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 176.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.45 -46.76 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.195 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.91 -40.84 97.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.259 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -67.2 -37.28 83.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.211 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.53 -39.9 85.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.3 88.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -66.95 -38.1 85.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.281 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.9 mt -61.41 -43.43 96.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.18 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.73 -44.6 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.89 -40.3 94.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.248 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.73 -45.06 91.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -60.37 -38.36 83.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.18 -47.75 84.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.258 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.88 -38.09 84.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.88 -44.73 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.23 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.94 -43.23 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.245 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.62 -39.77 77.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.196 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.5 95.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.157 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.1 mt -58.55 -44.99 89.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 175.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -55.0 -46.56 75.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 175.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.2 -37.29 74.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.192 -175.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.2 pt -102.54 13.7 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 -173.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.5 -1.84 32.9 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.62 147.42 49.81 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -171.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.18 -24.57 27.51 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.7 p -131.04 169.96 15.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.717 0.294 . . . . 0.0 111.263 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -61.92 -29.5 70.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 -171.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.84 -23.13 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.24 -177.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.9 tp -51.83 -52.22 50.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 175.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.01 -40.39 65.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -172.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.1 -36.5 84.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -175.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 73.6 mtm -74.46 -39.93 62.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.33 -35.4 69.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.229 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.74 -26.68 62.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.68 -25.61 66.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.97 -35.3 79.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.26 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.42 -38.76 74.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.47 -39.51 77.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.238 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.3 tp -71.25 -38.57 71.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.68 -26.55 14.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.158 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -177.407 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.91 0.386 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.44 -37.91 87.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.217 176.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.69 -42.69 95.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.266 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -65.27 -39.82 93.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.222 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -57.09 -47.86 80.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 55.8 m -60.57 -40.17 90.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.03 -40.35 95.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.237 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -65.21 -37.6 87.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -63.92 -43.01 97.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.53 -38.91 91.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.254 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -57.43 -50.61 72.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 177.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -58.63 -43.35 89.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 87.6 mt -60.78 -42.72 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 63.7 mt -59.26 -44.0 92.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.44 -43.86 96.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.216 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.47 -38.25 86.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.41 -47.57 78.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -68.88 -41.96 77.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -176.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.93 -41.71 86.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.208 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -137.4 79.18 36.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.217 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -54.53 134.98 64.59 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.73 1.62 . . . . 0.0 111.172 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.2 p -165.43 156.12 13.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.61 -37.44 75.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.63 -52.33 65.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -67.48 -35.27 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.225 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.31 -49.33 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.26 -45.55 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.29 -39.98 96.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.37 86.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.246 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.72 -46.95 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.172 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.95 -47.25 83.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.156 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.25 -38.39 83.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.0 mt -64.06 -44.65 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.306 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.4 -42.68 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -58.63 -47.07 85.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.235 174.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -57.77 -43.84 85.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.14 -40.39 89.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.53 89.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -65.31 -40.16 93.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.16 -50.7 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.61 -45.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -175.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.9 -39.45 94.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.274 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.67 -46.72 84.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.204 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 90.1 mt -57.4 -44.72 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -54.77 -46.05 74.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.63 -39.52 77.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.93 -46.06 95.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.45 -46.83 92.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.216 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.86 -40.91 97.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.299 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -67.14 -37.27 83.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.228 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -59.57 -39.69 84.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.23 89.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.201 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -66.99 -38.17 85.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 79.1 mt -61.39 -43.45 96.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.206 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.71 -44.6 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 176.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -61.88 -40.33 95.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.281 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.61 -45.2 91.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 177.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.3 -38.4 83.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.17 -47.71 84.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.275 176.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.9 -38.03 84.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.219 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.88 -44.77 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.88 -43.27 96.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.24 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.68 -39.69 77.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.208 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.44 95.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.62 -45.04 90.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -54.98 -46.44 75.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.294 175.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.31 -37.2 74.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 -175.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 47.3 pt -102.68 13.76 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 -173.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.52 -1.87 32.84 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.61 147.34 49.82 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -171.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.26 -24.63 27.24 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 82.6 p -130.96 169.97 15.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 111.175 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -61.89 -29.56 70.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -171.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.87 -23.06 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 -177.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.8 tp -51.97 -52.14 52.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.08 -40.3 65.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.17 -172.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.19 -36.46 84.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -175.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 73.6 mtm -74.48 -39.93 62.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 175.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.35 -35.35 69.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.18 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.83 -26.62 62.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.73 -25.58 66.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.98 -35.31 79.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.4 -38.7 74.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -176.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -69.59 -39.44 77.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.243 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 54.0 tp -71.14 -38.68 72.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.7 -26.44 13.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 -174.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 -177.419 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.852 0.358 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.41 -37.95 87.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.252 176.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.71 -42.68 95.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.246 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -65.27 -39.78 93.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.275 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -57.2 -47.77 80.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 174.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 55.9 m -60.54 -40.23 90.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.99 -40.37 95.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -65.23 -37.52 87.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.194 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -64.02 -42.9 96.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.55 -38.98 92.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.234 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -57.36 -50.72 72.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -58.5 -43.36 89.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.79 -42.83 93.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 64.3 mt -59.19 -43.94 92.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.43 -43.93 96.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.42 -38.21 86.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.41 -47.53 78.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.87 -42.02 77.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.96 -41.64 86.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.41 79.13 36.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -54.58 134.96 64.71 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.706 1.604 . . . . 0.0 111.237 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -165.36 156.15 13.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.59 -37.5 75.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 174.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.63 -52.38 65.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -67.36 -35.36 79.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.27 -49.3 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.29 -45.63 95.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.22 -39.92 95.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.38 86.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.183 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.8 -47.0 95.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.89 -47.24 83.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.37 83.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.191 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.16 -44.7 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.231 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 79.6 t -61.28 -42.75 94.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.183 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -58.57 -47.21 85.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 174.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -57.67 -43.8 85.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.299 176.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.25 -40.3 89.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.53 89.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -65.33 -40.15 93.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 176.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.21 -50.67 79.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.64 -45.83 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -175.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -63.91 -39.47 94.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.278 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.77 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.184 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 90.3 mt -57.45 -44.66 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -54.8 -45.96 74.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.212 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.62 -39.59 77.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.85 -46.03 95.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.273 176.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.51 -46.82 92.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 -178.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.87 -40.88 97.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.297 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -67.16 -37.27 83.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.216 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -59.6 -39.75 85.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.19 88.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -67.08 -37.99 84.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.289 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 79.3 mt -61.42 -43.48 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.191 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.68 -44.68 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 176.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.82 -40.32 94.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.261 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.78 -45.07 91.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -60.29 -38.41 83.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.15 -47.78 84.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.222 176.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.9 -38.0 84.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.188 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.9 -44.71 98.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.05 -43.1 96.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.72 -39.7 77.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.195 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.42 95.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.66 -44.97 90.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -55.03 -46.51 75.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 175.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.23 -37.21 74.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.267 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 47.2 pt -102.64 13.73 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 -173.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.47 -1.9 32.96 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.57 147.37 49.75 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -171.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.16 -24.58 27.53 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 82.6 p -130.9 169.97 15.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.735 0.303 . . . . 0.0 111.246 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -61.86 -29.55 70.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 -171.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.89 -23.01 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.246 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 53.0 tp -51.9 -52.24 51.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 175.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.09 -40.25 65.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.198 -172.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.2 -36.43 84.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -175.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 73.5 mtm -74.47 -39.89 62.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.255 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.35 -35.38 69.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.185 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.76 -26.72 62.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.67 -25.54 66.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.11 -35.19 79.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.41 -38.79 74.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.51 -39.49 77.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.245 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 53.9 tp -71.18 -38.62 72.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.8 -26.46 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -174.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.27 -177.448 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 CA--C 1.523 -0.067 0 CA-C-O 120.847 0.355 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -63.8 -49.36 73.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 -173.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.4 mt -81.13 -30.2 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 -172.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.21 -44.99 88.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -53.26 -48.05 68.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.5 m -59.42 -41.28 89.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.0 mt -65.71 -38.4 89.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.241 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.06 -36.44 84.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -58.19 -47.35 83.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 173.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.6 -40.15 96.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -60.99 -57.18 13.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.92 -46.34 89.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 -176.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.23 -42.04 93.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.507 HD13 ' C ' ' A' ' 20' ' ' LEU . 3.2 tm? -63.96 -48.29 77.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.248 178.034 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -58.91 -44.46 91.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -62.72 -40.93 98.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.246 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.1 tp -59.97 -50.24 74.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.234 176.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.33 -41.61 98.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.296 -174.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.64 -41.07 93.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.93 79.5 32.86 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -57.03 142.95 94.08 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.649 1.566 . . . . 0.0 111.214 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -161.5 158.62 26.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.27 -25.0 67.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -75.15 -54.79 6.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.251 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -73.03 -30.51 63.8 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.073 -171.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 tp -62.91 -28.29 44.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.782 0.325 . . . . 0.0 111.196 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.5 t -83.2 -44.09 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 175.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.83 -39.44 89.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.8 -38.18 81.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.41 -44.85 71.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.259 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -54.66 -47.99 72.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.236 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.94 -38.93 76.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.242 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.3 mt -65.12 -43.95 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.87 -42.99 91.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.68 -42.8 97.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.125 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -65.64 -40.21 92.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.253 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.34 -39.23 86.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.16 -42.15 90.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -66.22 -42.43 88.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.9 mt -60.22 -51.6 71.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 50.7 t -64.16 -43.77 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -58.72 -43.78 90.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.58 96.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.5 mt -62.83 -45.14 99.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.244 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -55.08 -44.09 74.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 177.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.24 -46.17 88.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.3 mt -61.09 -45.55 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -176.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.91 -47.53 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -64.93 -38.9 92.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.242 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -64.01 -41.3 97.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.76 -39.25 93.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.302 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.98 86.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.76 -39.43 93.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 86.5 mt -63.2 -42.68 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.207 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.8 t -58.87 -43.95 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -61.22 -43.07 99.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.192 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.5 -43.56 96.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.209 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.37 -37.73 86.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -58.1 -48.54 79.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 174.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.79 -37.96 86.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.13 -44.14 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.76 -45.52 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.249 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.84 -40.5 76.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.207 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.71 -43.29 90.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.191 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.89 -42.77 99.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -61.16 -35.8 78.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.248 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.18 -58.97 4.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.6 pt -81.34 -12.91 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.183 -172.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.69 18.13 48.06 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.42 132.43 46.47 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.74 -13.66 63.68 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.1 p -82.93 169.19 16.3 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.364 0.602 . . . . 0.0 111.052 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -85.51 -24.16 27.43 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.251 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 33.5 pt -60.98 -14.63 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.11 -36.22 76.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 177.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.53 -36.41 83.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 -172.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.23 -42.53 17.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.237 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 65.1 mtm -63.66 -41.15 98.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.216 -173.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.65 -37.22 85.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.12 -46.67 70.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.11 -38.25 88.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.208 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.483 ' C ' HD23 ' A' ' 88' ' ' LEU . 8.8 tt -59.16 -50.21 74.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.258 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.18 -44.62 94.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -177.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.33 -39.1 74.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.22 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.99 -50.3 74.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.256 176.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.85 -45.87 71.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.209 -177.77 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.781 0.324 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -63.83 -49.32 73.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -173.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -81.17 -30.21 34.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -172.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.2 -45.01 88.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 174.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -53.13 -48.25 68.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.225 176.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 73.4 m -59.37 -41.26 88.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.251 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 72.2 mt -65.64 -38.43 89.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.225 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.1 -36.42 83.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -58.24 -47.26 84.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.252 173.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.62 -40.02 95.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -61.16 -57.08 13.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.145 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.94 -46.36 89.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.219 -176.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.12 -42.08 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.248 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.514 HD13 ' C ' ' B' ' 20' ' ' LEU . 3.2 tm? -64.03 -48.29 76.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.182 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -58.88 -44.38 91.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -62.8 -40.89 98.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.261 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.95 -50.27 74.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 176.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.37 -41.67 98.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.19 -174.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.65 -41.03 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.146 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.9 79.52 32.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.245 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -57.04 142.92 94.14 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.742 1.628 . . . . 0.0 111.142 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 93.1 p -161.48 158.61 26.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.28 -25.03 67.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -75.13 -54.84 6.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -72.95 -30.56 63.95 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.094 -171.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 tp -62.9 -28.31 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.791 0.329 . . . . 0.0 111.132 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 72.8 t -83.22 -44.1 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 175.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.77 -39.54 89.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.77 -38.15 81.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.2 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -71.43 -44.86 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -54.59 -48.01 72.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.245 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.03 -38.89 77.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 83.5 mt -65.16 -43.99 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.82 -43.01 90.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.62 -42.83 97.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.152 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -65.63 -40.25 92.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.33 -39.18 86.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.15 90.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -66.27 -42.33 88.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.3 -51.6 71.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.189 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 51.0 t -64.1 -43.9 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -177.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -58.56 -43.91 89.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.229 178.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.55 96.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.8 -45.22 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.25 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -55.06 -44.07 74.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.28 -46.18 87.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.15 -45.46 98.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -176.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.95 -47.54 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.19 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.04 -38.75 91.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.26 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -64.09 -41.2 97.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.272 176.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.78 -39.29 93.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.251 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.92 86.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.74 -39.49 93.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.11 -42.77 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.205 175.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 45.7 t -58.85 -43.99 89.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -61.28 -42.96 99.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.199 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -63.59 -43.49 96.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.221 176.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.32 -37.84 87.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.19 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -57.9 -48.66 79.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 174.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.97 86.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.12 -44.07 94.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.81 -45.54 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.198 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.75 -40.57 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.222 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.74 -43.24 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.221 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.94 -42.76 99.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.192 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -61.13 -35.84 78.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.23 -58.92 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.273 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 pt -81.28 -12.94 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.212 -172.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.63 18.1 48.33 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.37 132.39 46.27 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.73 -13.61 63.75 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 176.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 61.5 p -82.92 169.23 16.26 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 121.419 0.628 . . . . 0.0 111.03 -178.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -85.53 -24.21 27.38 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.208 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.4 pt -60.95 -14.6 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.241 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.14 -36.23 77.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.277 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.62 -36.24 83.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.188 -172.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.26 -42.53 17.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.278 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 65.2 mtm -63.73 -41.13 98.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -173.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.56 -37.31 85.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.07 -46.72 70.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 175.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.1 -38.18 87.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.475 HD23 ' C ' ' B' ' 88' ' ' LEU . 8.8 tt -59.26 -50.18 75.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.18 -44.64 94.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 -176.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.29 -39.2 75.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.92 -50.37 74.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.246 176.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.8 -45.88 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.216 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.216 -177.754 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.797 0.332 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -63.8 -49.32 73.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.196 -173.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -81.17 -30.19 34.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -172.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.25 -44.94 88.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 174.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -53.17 -48.21 68.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 73.4 m -59.44 -41.28 89.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 72.0 mt -65.65 -38.44 89.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.13 -36.39 83.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -58.2 -47.42 83.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 173.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.47 -40.21 96.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.161 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -61.02 -57.11 13.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.98 -46.28 89.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.243 -176.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.12 -42.15 93.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.216 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' LEU . . . . . 0.511 HD13 ' C ' ' C' ' 20' ' ' LEU . 3.2 tm? -63.98 -48.3 76.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 178.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -58.92 -44.38 91.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.208 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -62.76 -40.88 98.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.267 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.03 -50.26 74.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.44 -41.56 98.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.191 -174.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.57 -41.16 93.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.176 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.83 79.53 33.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.238 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -57.07 142.94 94.22 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.667 1.578 . . . . 0.0 111.183 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 93.5 p -161.47 158.62 26.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.209 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.18 -25.09 67.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -75.1 -54.82 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -72.97 -30.58 63.94 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.04 -171.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 tp -62.86 -28.33 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.714 0.292 . . . . 0.0 111.148 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 72.3 t -83.28 -43.97 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.195 175.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.8 -39.55 89.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.66 -38.23 80.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.262 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.36 -44.93 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -54.58 -48.06 72.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.198 176.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.01 -38.85 76.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.234 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 84.1 mt -65.14 -43.86 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.246 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.91 -42.98 91.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.62 -42.79 97.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.18 175.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -65.7 -40.28 92.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.26 -39.27 86.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.29 90.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 176.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -66.11 -42.34 89.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 79.5 mt -60.29 -51.64 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 51.4 t -64.11 -43.79 97.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.188 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -58.61 -43.86 89.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.28 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.82 -44.53 96.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.204 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.75 -45.21 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.261 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -55.04 -44.14 74.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 177.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.18 -46.17 88.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.267 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.08 -45.52 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.255 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.93 -47.51 93.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.21 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.06 -38.79 91.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -64.02 -41.22 97.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.264 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.84 -39.33 94.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.187 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.02 86.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.152 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.71 -39.46 93.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.104 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.16 -42.71 97.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.219 175.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 45.8 t -58.83 -43.99 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -61.32 -42.92 99.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.175 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -63.68 -43.46 96.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.193 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.32 -37.82 87.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -57.99 -48.56 79.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 174.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.97 86.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 69.1 mt -60.12 -44.09 94.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.242 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.8 -45.57 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.72 -40.62 76.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.23 89.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.242 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.93 -42.72 99.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.242 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -61.17 -35.8 78.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.26 -58.96 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.197 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 pt -81.24 -12.99 12.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -172.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.61 18.13 48.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.45 132.42 46.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.8 -13.69 63.58 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 60.9 p -82.87 169.24 16.29 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.368 0.604 . . . . 0.0 111.045 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -85.59 -24.19 27.28 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.216 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 33.5 pt -60.87 -14.7 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.228 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.08 -36.31 77.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.226 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.5 -36.34 83.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 -172.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.22 -42.6 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.235 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 65.3 mtm -63.64 -41.07 98.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.277 -173.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.68 -37.22 85.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.215 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.1 -46.64 70.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 175.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.19 -38.16 88.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 88' ' ' LEU . . . . . 0.483 ' C ' HD23 ' C' ' 88' ' ' LEU . 8.8 tt -59.22 -50.25 74.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.12 -44.69 94.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.27 -39.13 75.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 55.3 tp -58.92 -50.33 74.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.277 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.88 -45.89 71.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 -177.723 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -100.02 5.8 45.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 111.242 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -64.51 133.46 52.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 59.3 ttm -109.88 136.96 48.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.178 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.08 156.9 33.05 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -175.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.8 m -60.7 -41.24 94.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 111.262 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.0 -36.78 80.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.236 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -57.11 -41.54 79.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.257 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.01 -43.01 99.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.244 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.45 -49.41 77.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.182 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -60.75 -39.08 87.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.23 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -62.39 -39.7 94.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 mt -74.26 -26.6 60.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.8 -40.1 94.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.225 174.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -65.41 -42.19 92.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.0 -43.21 86.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.226 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -54.71 -49.48 70.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.198 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -53.65 -45.93 70.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.275 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.6 -43.46 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -56.58 -49.36 75.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.17 -40.79 86.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -64.9 -39.81 94.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.35 -49.92 75.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.273 176.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.68 -41.37 98.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -175.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.14 -41.27 81.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.234 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -136.61 79.18 41.52 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.214 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -54.51 134.58 62.47 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.724 1.616 . . . . 0.0 111.239 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.8 p -164.94 156.83 15.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.211 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.33 -38.24 76.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.69 -52.53 64.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.86 -33.21 75.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.297 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.6 mt -63.11 -49.65 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.7 t -64.83 -42.63 95.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.228 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -65.09 -39.16 92.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.92 92.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.76 -46.83 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.7 ttp85 -52.42 -52.39 54.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.314 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.12 85.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 82.3 mt -63.55 -46.91 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.56 -46.41 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -63.96 -41.07 97.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -67.96 -35.2 77.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.289 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -59.89 -41.64 92.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 176.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.08 98.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -61.46 -40.05 93.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.211 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 90.1 mt -62.33 -47.67 91.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.63 -41.39 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -64.68 -39.25 93.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.65 98.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 173.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.42 -44.86 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.22 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -49.35 -56.5 9.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.237 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.4 93.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.204 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 87.9 mt -59.32 -46.54 92.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.4 t -62.21 -42.01 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.69 -40.44 92.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.255 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.45 -42.63 95.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.37 -38.92 85.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.14 90.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.132 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -64.08 -38.57 91.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.26 -41.96 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.16 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.3 t -59.37 -46.39 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.194 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.54 -42.04 95.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -61.61 -38.51 87.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.181 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -61.96 -38.26 87.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.89 -37.71 88.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.22 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.03 87.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.4 mt -59.7 -44.08 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 175.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.92 -47.93 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.35 -43.09 96.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.81 93.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.254 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.5 tp -64.51 -47.98 76.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.54 -33.98 74.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.179 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.72 -59.04 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.4 pt -73.56 -22.02 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -175.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.3 11.43 67.17 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.57 133.37 35.0 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -175.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.429 ' H ' HD11 ' A' ' 81' ' ' LEU . . . 95.91 -14.75 64.22 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 80' ' ' ILE . 56.9 m -86.31 142.93 28.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 111.205 -178.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.47 -32.27 26.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.176 -174.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.42 ' H ' HG22 ' A' ' 78' ' ' THR . 50.4 pt -50.23 -23.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 -172.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.429 HD11 ' H ' ' A' ' 77' ' ' GLY . 91.9 mt -54.68 -36.49 64.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.273 -177.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -62.48 -34.2 76.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -101.1 -35.39 9.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 -171.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 79.5 mmm -66.1 -32.86 74.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.252 -177.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.0 -35.65 80.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.55 -42.0 98.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -60.23 -46.9 88.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.207 177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 tt -52.39 -45.86 66.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.38 -38.11 88.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.199 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.11 -38.6 85.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.251 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.03 -40.38 96.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -57.32 -45.79 83.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 174.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -53.84 -46.1 71.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 175.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.7 m -65.82 -38.55 89.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 28.9 tp -58.49 -32.23 68.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -89.65 16.43 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.116 -174.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -129.01 146.35 51.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.167 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.053 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.428 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.579 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -100.03 5.84 45.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 0.0 111.214 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -64.66 133.5 52.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 59.3 ttm -109.8 136.94 48.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.212 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.11 156.9 33.0 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -175.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 84.9 m -60.78 -41.14 94.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.861 0.362 . . . . 0.0 111.186 174.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.12 -36.71 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -57.12 -41.5 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.266 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.09 -43.06 99.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -59.37 -49.35 78.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.245 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -60.83 -39.09 87.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -62.44 -39.61 93.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.273 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 63.5 mt -74.32 -26.61 60.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.86 -40.02 93.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 174.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -65.49 -42.07 92.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.141 172.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 57.3 tp -58.11 -43.11 87.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.182 176.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -54.77 -49.51 70.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -53.65 -45.91 70.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.273 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.63 -43.42 98.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.8 tp -56.65 -49.24 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.3 -40.67 86.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.0 -39.7 93.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.39 -49.96 75.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.275 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.64 -41.42 98.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 -175.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.17 -41.18 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.252 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -136.68 79.19 41.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.48 134.56 62.28 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.657 1.572 . . . . 0.0 111.261 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 93.9 p -164.92 156.91 15.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.199 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.33 -38.31 76.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.69 -52.48 64.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.92 -33.26 75.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.234 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.02 -49.7 82.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 177.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 63.2 t -64.86 -42.62 95.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -65.08 -39.21 92.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.89 92.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.85 -46.76 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -52.49 -52.38 54.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.266 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.11 86.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 82.7 mt -63.48 -46.9 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.23 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -58.69 -46.26 90.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.199 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -64.01 -41.09 97.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.207 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -67.99 -35.24 78.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.83 -41.64 91.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 176.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.1 98.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.193 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -61.47 -39.97 92.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.238 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 89.9 mt -62.43 -47.64 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.64 -41.39 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.243 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.62 -39.25 93.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.248 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.59 98.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 173.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 86.1 mt -61.39 -44.9 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 176.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -49.38 -56.43 9.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.5 -44.45 93.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -177.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.28 -46.58 92.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 43.9 t -62.3 -41.87 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.68 -40.59 92.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 176.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.42 -42.56 95.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.4 -38.94 85.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.229 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.22 90.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.14 176.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -64.01 -38.67 91.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.21 -41.93 94.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 50.2 t -59.37 -46.4 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.54 -42.1 95.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 174.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -61.48 -38.64 88.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.191 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -62.01 -38.13 87.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.9 -37.74 88.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.273 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.05 87.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 82.5 mt -59.67 -44.11 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.9 -47.86 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.42 -43.13 97.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.85 94.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.279 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 66.8 tp -64.54 -47.92 76.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.193 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.5 -34.12 74.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.67 -59.03 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.228 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 pt -73.54 -21.96 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 -175.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.41 11.47 66.95 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.61 133.36 35.17 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLY . . . . . 0.431 ' H ' HD11 ' B' ' 81' ' ' LEU . . . 95.86 -14.61 64.46 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.414 HG22 ' H ' ' B' ' 80' ' ' ILE . 56.3 m -86.38 142.8 28.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.759 0.314 . . . . 0.0 111.218 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.32 -32.36 25.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.233 -174.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.414 ' H ' HG22 ' B' ' 78' ' ' THR . 50.5 pt -50.14 -23.61 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.219 -172.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.431 HD11 ' H ' ' B' ' 77' ' ' GLY . 91.9 mt -54.6 -36.55 64.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.228 -177.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.49 -34.22 76.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -174.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -101.15 -35.43 9.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -171.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 79.5 mmm -66.06 -32.89 74.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.08 -35.54 80.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 176.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.61 -41.93 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.178 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.22 -46.85 88.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.401 ' C ' HD23 ' B' ' 88' ' ' LEU . 9.7 tt -52.46 -45.82 66.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.35 -38.23 88.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.19 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.95 -38.65 86.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.264 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.05 -40.43 96.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.191 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -57.24 -45.84 83.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -53.85 -46.03 71.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 74.6 m -65.88 -38.57 89.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 28.8 tp -58.37 -32.3 68.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.254 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -89.65 16.42 7.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -128.99 146.4 50.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.205 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.074 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.496 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -99.98 5.73 45.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.811 0.339 . . . . 0.0 111.252 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -64.56 133.48 52.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 -177.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 59.3 ttm -109.85 136.93 48.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.13 156.9 32.96 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -175.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 85.4 m -60.75 -41.1 94.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 111.264 174.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.22 -36.55 80.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -57.25 -41.47 79.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.243 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.08 -43.06 99.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.38 -49.39 78.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.268 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -60.74 -39.1 87.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.247 -175.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 64.0 m -62.43 -39.66 94.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.236 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 mt -74.29 -26.62 60.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.82 -40.05 93.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.258 174.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -65.43 -42.17 92.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.222 172.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 57.2 tp -57.98 -43.13 86.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 176.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -54.74 -49.51 70.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -53.71 -45.9 70.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.61 -43.42 98.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 57.7 tp -56.57 -49.34 75.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.238 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.15 -40.79 86.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.248 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -64.89 -39.77 94.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.171 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.32 -49.94 75.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.263 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.69 -41.38 98.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 -175.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.19 -41.11 81.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.25 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -136.71 79.15 40.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.51 134.6 62.59 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.674 1.583 . . . . 0.0 111.279 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 94.9 p -164.95 156.89 15.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.21 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.35 -38.28 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.207 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.67 -52.47 65.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.208 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.94 -33.24 75.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.276 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.0 -49.71 82.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.219 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.79 -42.7 95.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -65.01 -39.17 93.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.261 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.89 92.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.82 -46.81 95.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.182 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -52.44 -52.5 53.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.232 178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.41 -40.09 85.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.254 -178.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.5 -46.96 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -58.6 -46.33 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -64.02 -41.04 97.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -68.04 -35.16 77.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.89 -41.61 92.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 176.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.13 98.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.37 -40.1 93.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.254 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.22 -47.69 91.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.274 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.7 -41.29 91.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.292 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -64.67 -39.28 93.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.189 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.52 98.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.191 173.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.52 -44.85 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -49.4 -56.39 9.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.47 93.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 87.9 mt -59.32 -46.56 92.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 44.5 t -62.23 -42.04 93.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.55 -40.53 91.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.259 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.48 -42.52 95.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 174.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.41 -38.96 85.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.194 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.19 90.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -64.01 -38.56 91.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.33 -41.86 94.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.216 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 50.3 t -59.38 -46.45 92.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 176.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.46 -42.11 95.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 174.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -61.54 -38.56 87.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.185 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -62.04 -38.15 87.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.9 -37.74 88.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.221 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.05 87.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 82.4 mt -59.69 -44.1 92.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.235 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.92 -47.87 91.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.46 -42.98 97.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.241 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.78 93.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.239 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 66.5 tp -64.5 -47.92 77.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.237 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.53 -34.04 74.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.76 -58.9 6.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.284 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 34.6 pt -73.68 -21.93 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.196 -175.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.38 11.45 67.01 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.56 133.33 35.0 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 77' ' ' GLY . . . . . 0.425 ' H ' HD11 ' C' ' 81' ' ' LEU . . . 95.91 -14.7 64.3 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.425 HG22 ' H ' ' C' ' 80' ' ' ILE . 56.3 m -86.36 142.84 28.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 0.0 111.239 -178.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.39 -32.34 25.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.116 -174.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 80' ' ' ILE . . . . . 0.425 ' H ' HG22 ' C' ' 78' ' ' THR . 50.4 pt -50.2 -23.61 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.236 -172.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 81' ' ' LEU . . . . . 0.425 HD11 ' H ' ' C' ' 77' ' ' GLY . 91.8 mt -54.57 -36.54 64.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.254 -177.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.54 -34.14 76.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -174.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -101.17 -35.41 9.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 -171.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 79.5 mmm -66.03 -32.93 74.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.211 -177.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -66.96 -35.65 80.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.58 -41.92 98.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -60.28 -46.86 88.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 tt -52.41 -45.89 66.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.33 -38.19 88.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -67.0 -38.65 86.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.253 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.0 -40.44 96.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.253 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 92' ' ' LYS . . . . . 0.411 ' NZ ' ' OE2' ' C' ' 96' ' ' GLU . 66.3 tttm -57.22 -45.84 83.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 174.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -53.82 -46.04 71.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 175.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 74.5 m -65.91 -38.54 88.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 177.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 28.9 tp -58.43 -32.29 68.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 96' ' ' GLU . . . . . 0.411 ' OE2' ' NZ ' ' C' ' 92' ' ' LYS . 96.4 mt-10 -89.65 16.51 7.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.178 -174.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -129.06 146.3 51.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.198 -2.099 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.439 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.601 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p -69.25 155.92 39.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 111.245 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -122.64 -18.82 6.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.268 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 56.8 ttm -70.15 140.32 52.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 -172.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.81 70.19 0.96 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.0 p -97.77 11.12 38.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 111.198 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 -42.77 95.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.94 -34.63 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.83 -47.06 79.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.281 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.98 -41.51 95.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -61.44 -40.42 94.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.25 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.2 m -61.63 -39.38 91.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.19 -42.53 86.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.53 -35.68 81.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -63.04 -40.83 98.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 175.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.408 HD13 HD22 ' C' ' 43' ' ' ASN . 77.1 mt -61.71 -39.54 91.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -58.31 -51.41 69.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.2 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -55.34 -48.51 74.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.283 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.01 -43.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.7 -45.94 85.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.202 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.45 -38.91 85.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.262 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -65.42 -38.57 90.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.9 mt -62.26 -38.75 90.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.207 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.75 -38.04 86.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -77.07 -39.81 48.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.233 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -153.82 95.76 2.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.22 60.67 7.94 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.706 1.604 . . . . 0.0 111.212 -175.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.4 p -76.75 158.74 30.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.63 -36.53 74.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.221 175.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.44 -48.79 79.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.216 177.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -67.25 -35.41 79.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.179 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.4 mt -65.17 -49.09 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.59 -33.29 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.295 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.56 -36.19 78.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.211 173.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.73 90.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.42 -46.43 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.208 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -50.83 -53.95 27.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.72 83.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.24 -46.25 87.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.55 -43.85 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.03 -40.32 97.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.265 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -63.11 -40.94 99.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.25 -36.22 79.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.0 -41.51 87.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.252 175.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.85 -37.77 79.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.183 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.95 -50.96 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.2 -45.44 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.242 -175.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -66.33 -39.69 89.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.17 97.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.212 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.51 -47.1 93.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.203 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -57.77 -42.67 84.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.26 95.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.248 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.405 HG21 ' CG2' ' C' ' 53' ' ' ILE . 96.3 mt -62.27 -40.46 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.92 -48.0 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.207 175.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.15 -42.11 89.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.18 -41.48 98.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.278 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -64.58 -38.09 89.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.268 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.73 89.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 175.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -64.92 -42.51 94.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.85 -50.24 81.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.237 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.88 -43.88 99.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.211 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -63.97 -39.13 93.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.32 -37.44 85.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.18 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -59.67 -37.91 80.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.235 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.63 -42.35 99.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.32 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.62 87.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 177.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.96 -44.12 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.61 -40.22 88.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.189 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.58 -39.73 85.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 175.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.47 -37.89 87.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 174.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.27 -49.97 74.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 172.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.31 -33.53 69.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 -177.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.27 -32.21 69.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.3 pt -117.32 -9.88 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.2 -172.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.97 1.72 71.09 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.74 142.35 48.14 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.1 -12.7 68.9 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 80' ' ' ILE . 88.3 m -110.66 136.22 50.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.347 . . . . 0.0 111.209 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.8 -27.18 16.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.219 -170.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.429 ' H ' HG22 ' A' ' 78' ' ' THR . 11.0 tp -54.07 -23.47 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 -178.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.461 ' C ' HD12 ' A' ' 81' ' ' LEU . 3.7 pp -59.41 -24.32 63.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 -175.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -73.05 -40.08 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.173 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.29 -34.53 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.212 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.46 -44.11 89.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.01 -38.49 91.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -61.68 -40.2 94.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -61.79 -36.6 81.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.26 -40.87 91.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.245 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.82 -41.19 95.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -62.22 -41.73 98.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.33 -39.78 92.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.2 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.36 -44.91 84.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.59 -36.48 78.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.8 m -63.34 -39.45 94.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.177 178.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 87.6 mt -59.3 -37.93 78.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -90.86 0.85 57.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 -174.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -96.15 121.52 38.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 -173.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.057 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 178.021 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.4 p -69.29 155.93 39.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 0.0 111.199 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -122.68 -18.74 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.25 175.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 56.8 ttm -70.25 140.46 52.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 -172.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.91 70.21 0.98 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 69.7 p -97.76 11.11 38.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 111.218 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.18 -42.73 95.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.94 -34.66 76.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.147 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.78 -47.08 79.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.225 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -65.06 -41.41 95.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -61.39 -40.5 94.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.281 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 72.5 m -61.61 -39.44 91.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.19 -42.49 86.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.235 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.48 -35.72 81.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -63.0 -40.87 99.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 175.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.77 -39.5 91.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -58.29 -51.39 69.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.214 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -55.31 -48.54 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.306 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.99 -43.3 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 55.5 tp -57.79 -45.9 85.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.38 -38.97 85.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.276 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -65.41 -38.57 90.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 176.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 mt -62.29 -38.69 90.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.9 -37.97 86.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -77.03 -39.85 48.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -153.8 95.84 2.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -176.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -80.25 60.64 7.92 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.785 1.657 . . . . 0.0 111.194 -175.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 94.4 p -76.77 158.74 30.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.56 -36.58 74.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.273 175.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.41 -48.84 79.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -67.23 -35.35 79.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.247 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.12 -49.04 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.223 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.68 -33.22 52.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.263 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.6 -36.18 78.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 173.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.4 -45.63 90.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.243 174.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.42 -46.45 95.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -50.81 -53.91 28.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 174.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.74 84.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.2 mt -66.22 -46.28 87.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.51 -43.83 98.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.15 -40.27 97.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -63.07 -41.05 99.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 174.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.22 -36.24 79.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.227 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.62 87.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.252 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.81 -37.8 79.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.214 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.92 -50.95 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.25 -45.45 98.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 -175.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -66.17 -39.76 90.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.03 97.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.58 -47.11 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -57.8 -42.59 84.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.189 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.31 95.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ILE . . . . . 0.402 HG21 ' CG2' ' A' ' 53' ' ' ILE . 96.4 mt -62.25 -40.5 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.1 t -57.78 -48.07 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.248 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.12 -42.15 89.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.14 -41.52 98.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -64.57 -38.07 89.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.265 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.53 -43.76 89.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.188 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -64.9 -42.54 94.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 176.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 78.7 mt -60.9 -50.21 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 71.3 t -62.8 -43.96 99.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -63.92 -39.14 93.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.217 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -66.21 -37.47 85.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.76 -37.88 80.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.63 -42.4 99.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.311 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.66 87.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.9 -44.09 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.221 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.65 -40.21 88.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.226 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.54 -39.78 85.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.86 87.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.235 174.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.2 -50.01 74.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.234 172.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.28 -33.59 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 -177.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.18 -32.21 69.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 47.6 pt -117.34 -9.85 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.195 -172.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.02 1.72 70.95 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.7 142.42 48.2 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -176.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.04 -12.64 69.03 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.431 HG22 ' H ' ' B' ' 80' ' ' ILE . 88.2 m -110.69 136.21 50.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 111.222 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.77 -27.28 17.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.159 -170.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.431 ' H ' HG22 ' B' ' 78' ' ' THR . 11.0 tp -54.05 -23.45 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.47 ' C ' HD12 ' B' ' 81' ' ' LEU . 3.7 pp -59.45 -24.28 63.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.188 -175.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -73.13 -40.07 65.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.22 -34.68 75.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.36 -44.11 88.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 176.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.98 -38.55 91.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.198 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -61.69 -40.08 93.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -61.84 -36.59 81.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 89.8 mt -60.29 -40.9 92.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.24 177.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.76 -41.22 96.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.17 -41.81 98.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 92.0 mt -65.28 -39.8 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.214 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.28 -44.91 84.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.28 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.62 -36.53 78.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 69.0 m -63.24 -39.5 94.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.23 -38.0 78.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.226 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -90.78 0.79 57.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.228 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -96.09 121.54 37.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 -173.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.052 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 178.1 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 94.8 p -69.26 155.92 39.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 111.233 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -122.65 -18.79 6.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.254 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 56.8 ttm -70.17 140.43 52.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 -172.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.89 70.19 0.98 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 70.1 p -97.78 11.14 38.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.78 0.324 . . . . 0.0 111.196 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.25 -42.7 95.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.231 -178.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.92 -34.61 76.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 tp -64.87 -47.04 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.21 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.94 -41.52 95.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -61.42 -40.44 94.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.245 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 72.3 m -61.65 -39.42 91.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 57.2 tp -58.17 -42.51 86.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 177.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.52 -35.68 81.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -63.07 -40.77 98.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 77.2 mt -61.76 -39.53 91.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -58.17 -51.49 69.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.236 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -55.33 -48.62 73.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.225 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.92 -43.21 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 55.4 tp -57.83 -45.93 85.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.37 -39.01 85.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.234 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -65.36 -38.6 90.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 47.8 mt -62.23 -38.76 90.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.188 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.79 -37.92 86.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -77.19 -39.78 47.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -153.82 95.76 2.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -176.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -80.22 60.63 7.92 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.739 1.626 . . . . 0.0 111.19 -175.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -76.79 158.82 30.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.209 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.55 -36.63 74.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.229 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.42 -48.86 79.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -67.26 -35.27 79.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.25 -49.07 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.64 -33.29 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.221 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.5 -36.23 78.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 173.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.58 91.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.264 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 93.0 mt -60.44 -46.48 95.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -50.75 -53.89 27.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.65 84.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.24 -46.36 87.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.44 -43.81 98.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.265 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.14 -40.25 97.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.188 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -63.14 -41.02 99.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 174.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' ASN . . . . . 0.408 HD22 HD13 ' A' ' 16' ' ' LEU . 91.6 m-20 -61.22 -36.27 79.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.97 -41.54 87.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.81 -37.82 79.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.179 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 74.5 mt -61.91 -50.97 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.2 -45.48 98.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 -175.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -66.24 -39.72 89.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.06 97.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.49 -47.14 92.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -57.85 -42.59 84.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.38 95.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.174 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.405 ' CG2' HG21 ' A' ' 53' ' ' ILE . 96.3 mt -62.16 -40.49 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.265 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.6 t -57.82 -48.11 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 175.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -59.08 -42.04 89.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.291 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.21 -41.59 98.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.22 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -64.46 -38.11 89.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.229 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.69 89.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 175.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -64.92 -42.45 94.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.278 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 79.0 mt -60.94 -50.18 81.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.91 -43.92 99.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -63.85 -39.15 93.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.221 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.33 -37.4 85.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.73 -37.84 80.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.249 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.68 -42.4 99.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.261 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.21 -38.65 87.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.95 -44.11 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 92.9 mt -64.66 -40.14 88.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.63 -39.65 85.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.205 175.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.91 87.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 174.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.22 -49.99 74.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.187 172.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.24 -33.54 69.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.271 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.29 -32.16 69.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 47.4 pt -117.38 -9.89 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.207 -172.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.99 1.74 71.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.75 142.39 48.16 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -176.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.1 -12.67 68.97 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.426 HG22 ' H ' ' C' ' 80' ' ' ILE . 87.9 m -110.72 136.22 50.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 111.188 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.75 -27.33 17.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -170.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 80' ' ' ILE . . . . . 0.426 ' H ' HG22 ' C' ' 78' ' ' THR . 11.0 tp -54.03 -23.36 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -177.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 81' ' ' LEU . . . . . 0.461 HD12 ' C ' ' C' ' 81' ' ' LEU . 3.7 pp -59.49 -24.33 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -175.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -73.07 -39.96 65.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -69.3 -34.61 74.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.46 -44.09 89.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 176.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.0 -38.52 91.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -61.56 -40.19 93.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.231 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -61.81 -36.68 81.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.21 -40.84 91.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.275 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.84 -41.19 95.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.25 -41.73 98.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.32 -39.78 92.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.258 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.28 -44.93 84.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.312 175.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.56 -36.54 78.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 68.9 m -63.3 -39.46 94.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.195 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.29 -37.93 78.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -90.83 0.81 57.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 -174.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -96.09 121.54 37.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.174 -173.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.044 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 178.043 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.546 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.0 p -65.35 -25.61 67.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 111.282 -177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -125.81 -64.28 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 172.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.6 ptm -164.46 157.33 17.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 165.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.22 132.96 7.8 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 172.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.488 ' HB ' ' HE ' ' C' ' 51' ' ' ARG . 60.3 p -70.85 -18.65 62.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.687 0.28 . . . . 0.0 111.199 -177.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.76 -32.12 72.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.215 175.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.11 -31.64 72.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.277 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.16 -41.13 86.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.264 175.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.92 -43.36 79.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -52.82 -43.17 65.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.249 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.419 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 69.0 m -56.32 -43.44 78.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 177.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.84 -38.76 92.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.17 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.43 -37.59 85.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HE ' ' HA ' ' A' ' 12' ' ' SER . 74.0 mtm180 -62.68 -41.35 99.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.229 175.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.61 -38.38 90.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.234 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -54.71 -52.33 62.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -57.01 -44.04 82.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.246 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.0 mt -59.68 -44.45 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.237 178.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.82 -42.43 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.158 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.35 -41.55 98.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.234 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.18 -42.42 93.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 175.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.51 -49.32 75.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.249 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.61 -43.1 99.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.52 -41.73 96.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -137.98 80.29 30.4 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -57.96 141.73 96.24 Favored 'Trans proline' 0 C--N 1.327 -0.571 0 C-N-CA 121.667 1.578 . . . . 0.0 111.209 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.3 p -162.19 153.12 17.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.191 175.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.7 -37.6 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.236 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -59.22 -53.02 63.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -71.64 -31.56 66.98 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.049 -174.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.8 -48.77 86.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.778 0.323 . . . . 0.0 111.197 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.62 -45.35 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.71 -41.33 98.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.29 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.12 99.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.87 -46.23 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.26 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.88 -45.92 89.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 175.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -41.43 84.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.21 -175.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -58.2 -45.68 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.291 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 80.7 t -66.61 -43.07 90.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.233 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.45 -35.13 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -79.17 -39.82 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.411 ' O ' HG12 ' A' ' 46' ' ' ILE . 90.6 m-20 -58.32 -34.37 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.83 -32.1 51.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.285 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -78.77 -36.31 43.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 -175.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 43' ' ' ASN . 4.7 pt -79.96 -28.88 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 -177.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.84 -39.3 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -63.17 -36.99 85.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 175.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.35 -31.72 72.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.181 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 92.4 mt -68.83 -48.22 71.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 171.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.492 ' HE ' ' HB ' ' B' ' 6' ' ' THR . 71.6 mtp180 -63.25 -47.88 80.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 -175.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.8 -35.44 72.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 -174.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.9 mt -72.26 -36.66 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -176.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.23 -45.04 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 173.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.76 -40.35 97.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.249 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -58.24 -48.09 81.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.194 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.428 ' HA ' HD22 ' A' ' 57' ' ' ASN . 7.1 m120 -53.98 -47.23 71.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.1 -42.35 85.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -69.1 -38.84 79.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.53 -45.41 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.223 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.64 -45.54 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -63.12 -39.34 94.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.262 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.45 -42.41 92.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -60.48 -43.24 97.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -63.11 -42.4 99.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.246 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.24 89.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 92.4 mt -61.46 -46.48 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.232 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.89 -45.79 97.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.305 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.55 -39.1 82.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.213 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.52 -41.51 97.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.35 -39.08 93.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.72 -40.03 84.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 174.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.4 -37.34 80.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -177.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.5 tt -86.86 1.59 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.03 19.8 60.45 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.73 16.26 56.33 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.91 148.44 43.05 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -173.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 47.4 p -132.64 168.74 17.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.423 ' NZ ' ' OE2' ' A' ' 83' ' ' GLU . 66.1 tttm -54.16 -45.87 72.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 173.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.26 -46.68 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.4 mt -60.63 -42.5 97.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -177.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.86 -46.02 85.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.247 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.423 ' OE2' ' NZ ' ' A' ' 79' ' ' LYS . 97.0 mt-10 -61.35 -41.77 97.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.24 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 37.6 mmt -62.77 -43.03 99.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -57.0 -47.75 80.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 177.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.15 -40.87 86.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.162 -177.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.47 -41.63 88.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.44 -40.79 98.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.22 -50.0 73.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.61 -34.57 75.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.0 tp -49.2 -39.48 29.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -56.07 -28.39 57.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.231 -172.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -63.81 -22.52 66.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.203 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.6 p -108.21 2.92 23.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.232 -173.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 67.9 mt -95.23 146.24 24.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.225 -176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -58.67 133.41 55.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.225 166.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -163.94 150.37 11.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.202 -171.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.968 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 177.476 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.4 p -65.47 -25.54 67.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 111.245 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -125.85 -64.17 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.243 172.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 28.6 ptm -164.5 157.34 17.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 165.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.18 132.93 7.8 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.492 ' HB ' ' HE ' ' A' ' 51' ' ' ARG . 59.4 p -70.75 -18.75 62.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 0.0 111.222 -177.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.79 -32.04 72.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.216 175.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.1 -31.68 72.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.244 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -67.14 -41.14 86.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.283 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.97 -43.23 79.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.182 174.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -52.99 -43.05 66.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' SER . . . . . 0.422 ' HA ' ' HE ' ' B' ' 15' ' ' ARG . 68.7 m -56.46 -43.37 79.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 177.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.8 -38.7 91.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.278 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.46 -37.62 85.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.422 ' HE ' ' HA ' ' B' ' 12' ' ' SER . 74.0 mtm180 -62.62 -41.39 98.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.255 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.63 -38.36 90.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.238 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -54.62 -52.45 62.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -56.89 -44.15 82.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 92.0 mt -59.75 -44.39 93.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.75 -42.52 97.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.19 -41.7 98.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.267 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.15 -42.41 93.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 175.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.0 tp -62.51 -49.4 75.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.183 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.51 -43.07 99.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.28 -174.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.63 -41.63 96.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.227 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -138.09 80.31 29.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -57.93 141.76 96.19 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.673 1.582 . . . . 0.0 111.181 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 86.2 p -162.26 153.14 17.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 175.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -37.62 73.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -59.2 -53.0 63.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -71.6 -31.55 67.04 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.066 -174.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.82 -48.86 86.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.814 0.34 . . . . 0.0 111.179 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.52 -45.41 97.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.58 -41.41 98.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.27 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.1 99.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.247 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.83 -46.28 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.247 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.84 -45.92 88.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.164 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.42 -41.41 84.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -175.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.16 -45.8 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.63 -43.03 90.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.44 -35.13 75.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.215 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -79.11 -39.9 32.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.198 177.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.409 ' O ' HG12 ' B' ' 46' ' ' ILE . 90.6 m-20 -58.35 -34.37 70.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 177.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.75 -32.19 51.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.256 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -78.79 -36.33 42.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.409 HG12 ' O ' ' B' ' 43' ' ' ASN . 4.7 pt -79.93 -28.85 12.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.274 -178.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.85 -39.29 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.196 175.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -63.1 -37.05 85.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -31.61 72.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.198 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 92.3 mt -68.84 -48.2 72.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.484 ' HE ' ' HB ' ' C' ' 6' ' ' THR . 71.6 mtp180 -63.32 -47.82 80.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 -175.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.52 72.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 96.9 mt -72.2 -36.67 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -176.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.5 t -52.23 -45.0 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.231 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.7 -40.46 97.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 176.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -58.21 -48.08 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.256 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -53.96 -47.25 71.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.04 -42.47 85.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -68.96 -38.95 79.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 78.5 mt -62.45 -45.46 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.56 -45.55 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.231 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -63.13 -39.44 94.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.255 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.35 -42.5 92.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.166 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -60.48 -43.16 97.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -63.12 -42.45 99.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.233 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.24 89.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.47 -46.44 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.278 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.99 -45.79 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.195 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.61 -39.04 82.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.2 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.54 97.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 175.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.41 -39.02 93.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.77 -39.97 84.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.25 80.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 -177.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 15.4 tt -86.9 1.61 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.241 -176.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.03 19.77 60.5 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.71 16.23 56.39 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.94 148.44 43.0 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -173.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 47.5 p -132.65 168.69 17.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.356 . . . . 0.0 111.205 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -54.15 -45.81 72.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.215 173.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -46.56 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.65 -42.55 97.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.82 -46.04 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.38 -41.77 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.212 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 37.6 mmt -62.77 -43.09 99.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.165 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -56.87 -47.8 79.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.09 -40.89 87.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.46 -41.67 88.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.45 -40.74 97.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.225 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.21 -50.04 73.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.69 -34.42 75.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 tp -49.35 -39.43 31.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -55.95 -28.52 57.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -172.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -63.74 -22.51 66.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 98.3 p -108.17 2.83 23.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.284 -173.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 67.7 mt -95.19 146.25 24.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 -176.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.61 133.5 55.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 166.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -164.1 150.32 11.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.181 -171.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.955 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 177.514 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.592 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 93.4 p -65.45 -25.53 67.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 111.261 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -125.86 -64.21 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 172.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 28.6 ptm -164.48 157.25 17.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.217 166.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.21 132.93 7.79 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 172.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' THR . . . . . 0.484 ' HB ' ' HE ' ' B' ' 51' ' ' ARG . 60.5 p -70.82 -18.73 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.318 . . . . 0.0 111.157 -177.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.64 -32.17 72.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.242 175.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.09 -31.7 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.12 -41.17 86.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.294 175.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.96 -43.23 79.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 174.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -53.0 -43.05 66.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.421 ' HA ' ' HE ' ' C' ' 15' ' ' ARG . 68.7 m -56.41 -43.42 79.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 177.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.79 -38.78 92.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.37 -37.58 85.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.238 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ARG . . . . . 0.421 ' HE ' ' HA ' ' C' ' 12' ' ' SER . 74.0 mtm180 -62.73 -41.37 99.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 175.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.59 -38.37 90.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -54.61 -52.49 62.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.229 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -56.81 -44.24 81.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 91.7 mt -59.7 -44.39 93.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.81 -42.39 97.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.34 -41.63 98.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.198 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.19 -42.35 93.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.59 -49.4 75.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -62.6 -43.03 99.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 -174.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.67 -41.61 95.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -138.01 80.29 30.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 -178.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -57.94 141.78 96.23 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.662 1.575 . . . . 0.0 111.179 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -162.19 153.16 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.77 -37.54 73.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -59.33 -52.94 63.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -71.67 -31.54 66.92 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.038 -174.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.81 -48.76 86.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.786 0.327 . . . . 0.0 111.262 177.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.57 -45.37 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.263 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.68 -41.31 98.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.268 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.11 99.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.205 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.98 -46.19 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.232 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.78 -46.02 88.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.42 -41.24 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.296 -175.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 78.6 mt -58.35 -45.72 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.214 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 80.2 t -66.66 -43.03 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.51 -35.18 75.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -79.04 -39.82 32.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -58.46 -34.32 70.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.87 -32.19 52.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -78.67 -36.34 43.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.24 -175.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 pt -80.0 -28.81 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.279 -177.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.88 -39.23 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.207 175.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -63.1 -37.07 85.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 175.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.43 -31.7 72.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 174.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 92.1 mt -68.86 -48.15 72.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 171.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' ARG . . . . . 0.488 ' HE ' ' HB ' ' A' ' 6' ' ' THR . 71.6 mtp180 -63.28 -47.89 80.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -175.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.7 -35.53 72.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 96.9 mt -72.21 -36.71 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 -176.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.12 -45.1 41.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.76 -40.37 97.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 176.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.25 -48.04 81.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' ASN . . . . . 0.485 HD22 ' HA ' ' C' ' 57' ' ' ASN . 7.1 m120 -54.01 -47.21 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.239 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.36 85.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -69.09 -38.92 79.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 78.8 mt -62.49 -45.34 99.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.262 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.67 -45.53 97.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -63.12 -39.44 94.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.299 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -65.35 -42.49 92.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -60.46 -43.2 97.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 178.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -63.16 -42.4 99.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.22 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.62 -41.29 90.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.41 -46.44 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.245 176.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.04 -45.68 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.261 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.67 -39.04 83.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.193 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.56 97.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 175.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.36 -39.0 93.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.245 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.72 -40.03 84.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 174.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.45 -37.21 80.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.268 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 15.4 tt -86.89 1.52 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.03 19.86 60.35 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.78 16.3 56.22 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.92 148.41 42.98 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -173.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 47.5 p -132.63 168.74 17.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 111.238 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 79' ' ' LYS . . . . . 0.412 ' NZ ' ' OE2' ' C' ' 83' ' ' GLU . 66.1 tttm -54.1 -45.97 71.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 173.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.17 -46.66 95.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.219 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.62 -42.53 97.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.87 -46.02 85.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.229 176.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 83' ' ' GLU . . . . . 0.412 ' OE2' ' NZ ' ' C' ' 79' ' ' LYS . 97.1 mt-10 -61.35 -41.84 97.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.194 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 37.6 mmt -62.74 -43.01 99.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -57.0 -47.75 80.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.1 -40.84 87.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.225 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.5 -41.63 88.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.215 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.49 -40.74 97.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.237 178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.28 -50.02 73.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 176.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.51 -34.47 75.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.26 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 tp -49.42 -39.32 32.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.219 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -56.06 -28.5 57.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -63.7 -22.51 66.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 98.0 p -108.19 2.88 23.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.24 -173.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 67.8 mt -95.15 146.24 24.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.252 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.64 133.46 55.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 166.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -164.03 150.38 11.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 -171.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.972 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.532 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.614 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.7 t -145.38 106.66 4.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 111.23 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -169.13 167.38 10.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.193 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 58.9 ttm -87.6 129.35 35.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.208 168.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.5 -152.63 24.38 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -176.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.4 p -113.55 -14.72 12.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.345 . . . . 0.0 111.219 -178.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.29 -47.65 72.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.209 178.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.75 -38.51 81.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.11 -39.8 94.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.248 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -62.21 -39.67 93.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -64.07 -40.33 96.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.154 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -63.34 -38.29 90.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.07 -39.15 88.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.279 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.96 -36.62 84.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -66.24 -41.94 89.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.15 -39.65 93.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -60.78 -49.93 75.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 174.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -52.08 -50.01 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.195 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.12 -45.54 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.271 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.3 -46.69 82.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.211 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -59.63 -43.43 93.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.17 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.2 -37.79 86.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.249 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.6 -50.17 73.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.278 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.26 -41.05 94.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.231 -176.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.19 -39.19 92.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.176 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -146.92 84.95 7.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -55.25 136.16 72.2 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.785 1.657 . . . . 0.0 111.161 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.0 p -161.78 155.51 21.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.57 -38.23 77.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.215 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.08 -51.74 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.228 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.9 -34.5 76.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 -176.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.52 -48.35 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.268 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.24 -45.17 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -66.5 -35.64 80.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.25 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.7 -49.66 76.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.252 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.77 -44.96 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -50.22 -56.15 12.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 173.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.85 84.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -176.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.37 -47.04 91.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.51 -44.49 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.76 -40.82 98.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.201 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -63.16 -44.95 94.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -58.86 -41.11 86.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.72 -41.09 85.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.04 -39.91 90.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 178.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 91.8 mt -62.44 -47.76 91.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.214 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.0 -45.71 98.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -65.93 -35.71 81.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.87 -53.07 61.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 pt -70.97 -28.03 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 -175.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -62.05 -48.33 80.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.227 175.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.6 96.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.08 -44.26 94.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.207 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.06 -43.7 93.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -62.01 -41.26 97.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.251 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.95 -39.87 95.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 175.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.16 -37.82 88.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.08 80.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.27 -39.3 94.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.064 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.03 -41.13 91.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 175.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.75 -45.65 94.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.7 -43.83 90.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.285 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -57.56 -46.8 83.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.223 174.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.41 -39.44 83.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -59.09 -47.81 83.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 175.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.27 80.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.278 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.7 mt -60.13 -44.93 96.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.61 -44.3 99.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.56 -40.85 96.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.221 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.45 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.0 mt -59.28 -42.99 92.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.231 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -63.21 -36.89 85.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.52 91.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.7 pt -106.52 -23.14 4.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 -169.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.44 22.96 4.1 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -174.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.64 146.31 38.23 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.6 -19.36 52.81 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 88.5 m -62.06 130.31 44.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 111.231 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.88 -42.86 72.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.23 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.3 mm -57.71 -41.54 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.231 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.5 -36.61 79.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.261 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -61.1 -36.06 78.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.32 -36.31 58.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 82.9 mtp -61.06 -29.07 69.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.14 -25.99 62.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.259 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -75.31 -44.09 47.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.155 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.2 -30.65 71.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.199 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.523 ' O ' HD23 ' A' ' 88' ' ' LEU . 10.3 tt -57.83 -29.11 64.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.249 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.08 -45.28 92.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.88 -35.94 72.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.177 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.03 -51.54 69.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.285 175.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.86 -37.66 77.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 -176.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.26 -22.71 66.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -175.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.3 m -76.8 -2.16 31.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -176.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 93.4 mt -82.49 -7.25 59.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.222 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.41 132.44 52.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.249 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -100.9 156.45 17.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.218 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.944 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 176.807 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -145.3 106.69 4.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.209 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -169.22 167.29 10.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.204 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 58.9 ttm -87.55 129.33 35.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 168.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.51 -152.61 24.35 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 67.0 p -113.58 -14.7 12.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 111.133 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.26 -47.64 72.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.248 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.77 -38.58 82.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.06 -39.85 94.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -62.18 -39.76 93.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -63.96 -40.34 96.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.976 0.417 . . . . 0.0 111.224 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -63.37 -38.27 90.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.09 -39.23 89.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.208 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.93 -36.55 84.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -66.31 -41.93 88.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.2 175.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.17 -39.62 93.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -60.77 -49.91 75.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.207 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -52.11 -50.02 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.03 -45.61 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.279 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 56.7 tp -57.31 -46.63 83.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 -177.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.73 -43.32 94.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.229 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.26 -37.78 86.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.223 176.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.63 -50.21 73.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.298 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.14 -41.14 95.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.263 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.07 -39.32 93.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.188 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -146.83 84.91 7.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.185 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -55.24 136.15 72.16 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.679 1.586 . . . . 0.0 111.204 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 95.6 p -161.75 155.59 21.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.2 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.54 -38.34 77.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.94 -51.86 67.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.91 -34.43 76.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -63.56 -48.4 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.234 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.11 -45.3 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.43 -35.59 80.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.82 -49.64 76.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.21 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.75 -44.99 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -50.23 -56.17 12.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.97 84.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.0 mt -64.29 -47.11 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.191 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.43 -44.5 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.243 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.76 -40.85 98.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.201 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -63.09 -44.96 94.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -58.77 -41.25 86.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.64 -41.11 85.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.216 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -66.11 -39.83 90.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.49 -47.79 91.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.158 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.01 -45.59 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.202 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -66.05 -35.7 81.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.09 61.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 pt -71.04 -27.88 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.216 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -62.18 -48.27 80.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.238 175.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.66 96.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 176.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.09 -44.3 94.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.07 -43.7 93.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.204 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -61.89 -41.37 97.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.312 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.84 -39.81 95.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.286 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.31 -37.7 88.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.04 -39.06 80.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.231 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.3 -39.25 94.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.95 -41.12 91.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.73 -45.65 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.22 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -58.68 -43.85 90.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.273 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -57.56 -46.82 83.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 174.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -59.39 -39.5 83.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -58.96 -47.79 83.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.271 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.19 81.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.219 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 67.4 mt -60.12 -44.96 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.66 -44.23 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.175 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.54 -40.82 96.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.236 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.49 -42.47 98.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 52.3 mt -59.23 -43.05 92.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -63.19 -36.88 85.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.83 -38.55 91.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.227 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 39.2 pt -106.43 -23.24 4.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 -169.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.38 22.95 4.11 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.53 146.29 37.85 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -175.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.5 -19.27 53.28 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 88.7 m -62.12 130.28 44.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.795 0.331 . . . . 0.0 111.271 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.8 -43.03 72.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 42.1 mm -57.6 -41.58 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.19 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.48 -36.66 79.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.23 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.01 -36.15 78.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.3 -36.32 58.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 176.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 82.8 mtp -61.02 -29.05 69.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 178.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -58.18 -26.0 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.188 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -75.21 -44.2 47.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.219 174.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.16 -30.62 71.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.208 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.526 HD23 ' O ' ' B' ' 88' ' ' LEU . 10.3 tt -57.83 -29.12 64.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.303 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.07 -45.33 92.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.144 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.89 -35.93 72.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 56.5 tp -58.04 -51.48 69.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.93 -37.63 77.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.3 -22.72 66.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 -175.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 75.1 m -76.75 -2.16 31.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -176.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 93.5 mt -82.47 -7.32 59.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.235 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.4 132.45 52.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.239 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -100.98 156.5 17.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.935 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 176.889 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 46.0 t -145.25 106.68 4.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 111.289 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -169.2 167.32 10.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.222 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 58.9 ttm -87.64 129.39 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.204 168.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.51 -152.63 24.37 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -176.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.3 p -113.5 -14.75 12.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.34 . . . . 0.0 111.24 -178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.13 -47.74 71.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.224 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.76 -38.55 82.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.09 -39.79 94.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -62.25 -39.66 93.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -64.14 -40.18 95.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.22 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -63.44 -38.25 90.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.08 -39.2 88.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.02 -36.49 84.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -66.26 -41.96 89.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.247 175.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.17 -39.7 93.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -60.76 -49.83 75.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -52.24 -49.93 63.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.05 -45.66 83.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.206 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.36 -46.57 83.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -177.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.72 -43.25 94.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.265 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.31 -37.76 86.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.193 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.72 -50.21 73.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.237 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.09 -41.17 95.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.1 -39.2 92.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -146.95 84.86 7.25 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -55.24 136.18 72.24 Favored 'Trans proline' 0 C--N 1.327 -0.57 0 C-N-CA 121.688 1.592 . . . . 0.0 111.193 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 95.4 p -161.83 155.6 21.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.58 -38.23 77.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.251 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.05 -51.81 68.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.162 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.89 -34.5 76.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 80.2 mt -63.53 -48.41 87.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.23 -45.11 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -66.52 -35.61 80.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.266 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.6 76.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.28 173.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.78 -45.02 98.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -50.18 -56.08 12.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.29 173.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.93 84.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 -176.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.37 -47.02 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.23 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.42 -44.6 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.68 -40.82 98.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.26 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -63.16 -44.97 93.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -58.72 -41.15 85.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.67 -41.19 85.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.21 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.02 -39.82 90.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 91.9 mt -62.45 -47.84 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.88 -45.68 98.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.265 -178.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.09 -35.66 81.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.09 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.88 -53.02 62.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.226 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 41.1 pt -71.06 -27.9 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -62.27 -48.21 80.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.164 175.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.63 96.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.0 -44.33 94.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.01 -43.78 93.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.203 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -61.92 -41.33 97.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.256 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.81 -39.95 95.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 175.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.16 -37.7 88.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.04 80.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.31 -39.28 94.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.87 -41.24 91.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.208 175.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 51.7 t -59.68 -45.63 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.7 -43.92 90.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.273 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -57.53 -46.85 83.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.241 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.29 -39.48 83.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.268 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -59.07 -47.72 84.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.247 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.09 80.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.367 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.23 -44.9 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.121 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.72 -44.17 99.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.198 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.57 -40.85 96.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.38 98.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 52.7 mt -59.25 -43.05 92.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.189 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -63.32 -36.78 84.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.52 91.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 39.4 pt -106.53 -23.12 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.173 -169.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.42 22.95 4.1 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.61 146.38 38.0 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.5 -19.37 52.88 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 88.8 m -62.07 130.4 45.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.84 0.352 . . . . 0.0 111.179 177.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.99 -42.92 73.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.141 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 42.3 mm -57.58 -41.6 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.233 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.45 -36.65 79.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.265 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.01 -36.14 78.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.28 -36.38 58.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 176.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 83.0 mtp -60.98 -29.07 69.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -58.18 -25.99 62.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -75.14 -44.26 47.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.12 -30.64 71.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 88' ' ' LEU . . . . . 0.505 ' O ' HD23 ' C' ' 88' ' ' LEU . 10.3 tt -57.88 -29.07 64.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.237 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.12 -45.29 92.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.79 -35.94 72.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.213 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.03 -51.57 69.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.223 175.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.81 -37.7 76.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.228 -176.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.28 -22.63 66.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -175.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 75.2 m -76.85 -2.13 31.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 93.1 mt -82.59 -7.21 59.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -62.44 132.44 52.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -100.92 156.49 17.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.236 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.949 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 176.857 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.9 p -65.04 -18.98 65.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.788 0.328 . . . . 0.0 111.201 -173.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -114.34 22.55 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.2 ttt -65.52 145.55 55.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.26 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.02 -152.89 29.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.9 p -115.34 -23.96 8.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 111.193 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -87.4 -6.9 58.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.225 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -58.69 -38.55 78.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.02 -40.97 99.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -61.79 -48.37 80.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.248 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -62.97 -38.45 91.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -62.37 -42.41 99.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.229 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.04 -39.55 92.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.183 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.66 -39.62 94.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.166 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -68.98 -38.0 79.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.223 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.38 -41.3 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.39 -49.81 76.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 173.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -53.42 -50.11 65.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.64 -45.15 89.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.52 -47.48 81.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.78 -42.3 93.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.24 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.38 -38.37 87.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.73 -49.97 74.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.221 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.31 -41.16 96.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.95 -42.33 76.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -138.11 80.63 28.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -54.28 135.49 65.27 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.736 1.624 . . . . 0.0 111.2 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.1 p -163.17 156.19 19.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.47 -38.4 77.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.199 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.09 -52.5 65.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -67.06 -34.1 76.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.277 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -63.61 -48.97 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.1 t -64.34 -44.13 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.64 -37.94 89.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.08 -49.22 78.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 174.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.81 -44.68 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.179 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -53.1 -54.63 32.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.67 -37.54 81.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -64.47 -47.16 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.87 -43.65 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.19 -41.91 98.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -63.0 -43.61 98.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -59.07 -41.65 88.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.197 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.01 91.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.202 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -64.71 -41.52 95.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.64 -50.47 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.01 -42.71 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.181 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -59.26 -48.17 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.24 -41.48 93.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.0 mt -61.26 -41.23 88.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -47.82 -52.38 19.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.212 173.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.61 85.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.78 -44.29 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.91 -42.58 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.34 -41.22 96.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.05 -48.63 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 172.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.28 -38.28 83.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.211 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.16 95.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -64.59 -37.63 88.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.247 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.466 HG23 HD21 ' C' ' 64' ' ' ASN . 79.9 mt -62.21 -43.46 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.23 -44.36 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.1 -36.93 85.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.213 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.64 -43.93 95.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.205 175.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.458 HD21 HG23 ' B' ' 60' ' ' ILE . 93.6 m-20 -56.33 -45.89 80.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 176.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -55.62 -50.87 68.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.09 -39.49 82.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.93 -46.96 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.18 -42.96 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.225 -178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.64 -43.7 98.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 176.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.24 94.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.226 174.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.54 -49.66 76.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.32 -41.57 89.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.32 -36.18 72.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 -175.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 pt -101.91 5.85 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.209 -178.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.23 -118.47 1.99 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 -173.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.36 -177.25 45.21 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.63 126.6 9.96 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.1 p -134.29 162.29 32.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.153 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' NZ ' ' OE2' ' A' ' 83' ' ' GLU . 65.3 tttm -55.52 -44.85 77.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 172.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.44 -42.54 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.72 -49.12 66.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.235 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.11 -46.99 78.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' OE2' ' NZ ' ' A' ' 79' ' ' LYS . 97.8 mt-10 -62.28 -39.81 94.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 -178.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 72.3 mtm -64.17 -41.29 97.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.87 -33.44 75.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.235 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.63 -39.42 88.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 172.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -64.23 -35.57 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.7 mt -58.36 -39.36 79.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.26 177.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.52 -44.35 96.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.48 -42.08 96.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.47 -39.28 93.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -72.02 -45.58 60.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -60.89 -31.18 70.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.0 m -72.12 -9.29 58.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 88.4 mt -95.99 -3.5 44.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.216 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -67.17 145.69 55.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.173 -175.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -76.35 155.66 33.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.966 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.137 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.2 p -64.95 -18.93 65.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.81 0.338 . . . . 0.0 111.261 -173.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -114.47 22.61 13.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 22.2 ttt -65.5 145.5 56.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.96 -152.88 29.77 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 174.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 80.6 p -115.34 -23.97 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 111.165 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -87.37 -6.99 58.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.208 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.64 -38.55 78.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 -175.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.96 -41.0 99.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.219 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' B' ' 14' ' ' GLU . 64.4 tttm -61.74 -48.42 80.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -62.99 -38.43 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -62.37 -42.41 99.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.211 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.03 -39.55 92.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.205 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' B' ' 10' ' ' LYS . 98.5 mt-10 -62.71 -39.56 94.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 177.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -68.98 -38.05 79.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 177.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 61.5 mt -62.3 -41.3 98.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.236 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.44 -49.82 76.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -53.33 -50.2 65.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.6 -45.11 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.25 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.54 -47.46 81.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 -177.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.72 -42.38 92.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.38 -38.41 87.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 175.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.67 -50.03 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.25 -41.18 97.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.96 -42.32 76.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -138.05 80.6 29.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -54.25 135.53 65.29 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.719 1.613 . . . . 0.0 111.196 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.3 p -163.21 156.2 18.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.247 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.44 -38.39 77.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.186 177.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.18 -52.46 65.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -67.04 -34.12 77.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.264 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.63 -49.0 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.6 t -64.27 -44.18 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.65 -37.92 89.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.02 -49.22 78.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 174.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.83 -44.7 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -53.05 -54.6 33.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.57 82.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.4 -47.21 90.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.201 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.86 -43.62 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.12 -41.97 98.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.199 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -63.0 -43.55 98.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.206 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -59.16 -41.55 88.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 178.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.01 92.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.207 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -64.73 -41.48 95.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.56 -50.53 80.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.98 -42.71 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -59.28 -48.14 82.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.46 93.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.19 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 67.8 mt -61.27 -41.22 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -47.76 -52.42 18.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 173.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.57 85.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.78 -44.29 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.195 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.89 -42.66 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.24 -41.26 96.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.192 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.03 -48.61 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 172.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.37 -38.24 83.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.203 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.31 -42.14 94.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.248 177.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -64.7 -37.56 87.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.243 177.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ILE . . . . . 0.458 HG23 HD21 ' A' ' 64' ' ' ASN . 80.1 mt -62.23 -43.45 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.13 -44.43 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.08 -36.97 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.197 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.65 -43.84 95.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.236 175.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.457 HD21 HG23 ' C' ' 60' ' ' ILE . 93.6 m-20 -56.39 -45.89 80.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 176.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -55.6 -50.9 68.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 176.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.46 82.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.154 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.97 -46.97 92.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.11 -43.0 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.198 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.64 -43.63 98.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.22 -39.3 94.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.52 -49.64 76.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.36 -41.5 89.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.19 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.38 -36.2 73.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 -175.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 pt -101.88 5.87 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.229 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.23 -118.47 1.99 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -173.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.36 -177.23 45.2 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.62 126.54 9.94 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 60.7 p -134.28 162.29 32.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.356 . . . . 0.0 111.146 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' LYS . . . . . 0.434 ' NZ ' ' OE2' ' B' ' 83' ' ' GLU . 65.3 tttm -55.48 -44.82 76.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.227 172.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.48 -42.59 96.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 58.1 tp -52.7 -49.08 66.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.272 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.18 -46.98 79.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.434 ' OE2' ' NZ ' ' B' ' 79' ' ' LYS . 97.8 mt-10 -62.29 -39.79 94.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.235 -178.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 72.3 mtm -64.16 -41.21 97.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.91 -33.46 75.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.217 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.57 -39.45 88.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 172.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.2 -35.56 81.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.45 -39.34 79.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.51 -44.29 96.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.215 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.56 -42.06 95.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.46 -39.25 93.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.189 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -72.13 -45.49 60.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -60.93 -31.18 70.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 73.0 m -72.18 -9.2 58.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -176.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 88.4 mt -96.0 -3.56 44.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.229 -178.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -67.19 145.7 54.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.219 -175.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -76.32 155.7 34.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.213 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.961 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 177.144 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -64.95 -18.99 65.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.222 -173.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -114.38 22.55 13.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 22.2 ttt -65.49 145.5 56.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.228 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.02 -152.89 29.8 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 174.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 80.6 p -115.32 -23.97 8.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.746 0.308 . . . . 0.0 111.187 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -87.39 -6.98 58.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.65 -38.6 78.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -175.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.91 -41.02 99.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -61.81 -48.37 80.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.213 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -62.91 -38.48 91.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -62.39 -42.42 99.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.219 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.96 -39.6 92.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.226 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.6 -39.65 94.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.173 177.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -68.96 -38.12 79.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.3 -41.33 98.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.39 -49.82 76.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.23 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -53.4 -50.08 65.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.197 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.73 -45.09 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 58.1 tp -57.53 -47.43 82.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.207 -177.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.79 -42.35 93.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.4 -38.37 87.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.74 -50.03 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.25 -41.16 97.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.174 -175.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.96 -42.34 76.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -138.07 80.61 28.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -54.29 135.52 65.46 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.741 1.628 . . . . 0.0 111.208 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -163.2 156.18 19.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.43 -38.39 77.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.202 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.2 -52.41 65.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -67.07 -34.13 76.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.261 -176.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.62 -48.98 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.27 -44.18 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.215 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.68 -37.87 89.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.07 -49.22 78.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.82 -44.66 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -53.17 -54.55 34.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.59 82.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.37 -47.22 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.86 -43.64 96.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.17 -41.88 98.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -63.03 -43.59 98.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -59.1 -41.58 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.241 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.0 91.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.228 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -64.75 -41.53 95.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.55 -50.54 79.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.251 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 79.4 t -63.91 -42.76 96.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.218 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -59.23 -48.18 82.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.46 93.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 67.9 mt -61.19 -41.3 89.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -47.69 -52.43 18.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.258 173.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.66 -38.68 85.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 91.2 mt -64.73 -44.29 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.88 -42.65 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.27 -41.22 96.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.221 177.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.09 -48.61 79.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 172.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.33 -38.24 83.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.23 95.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.172 177.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -64.56 -37.59 88.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.264 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 60' ' ' ILE . . . . . 0.457 HG23 HD21 ' B' ' 64' ' ' ASN . 79.7 mt -62.29 -43.42 98.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 178.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.2 -44.36 98.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.09 -36.94 85.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.252 177.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.63 -43.91 95.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.218 175.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 64' ' ' ASN . . . . . 0.466 HD21 HG23 ' A' ' 60' ' ' ILE . 93.5 m-20 -56.35 -45.91 80.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 176.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -55.61 -50.91 68.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.01 -39.55 82.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.92 -46.97 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.14 -43.05 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.62 -43.64 98.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.29 94.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.227 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.49 -49.62 76.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.39 -41.51 89.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.34 -36.22 73.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 -175.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 pt -101.9 5.85 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.21 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.22 -118.4 1.99 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -173.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.43 -177.21 45.25 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.66 126.58 9.93 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 60.9 p -134.29 162.29 32.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.125 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 79' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' C' ' 83' ' ' GLU . 65.3 tttm -55.49 -44.83 76.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.27 172.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.47 -42.52 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.76 -49.09 66.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -56.11 -46.98 78.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 83' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' C' ' 79' ' ' LYS . 97.8 mt-10 -62.33 -39.75 94.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.208 -178.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 72.3 mtm -64.2 -41.25 97.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -178.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.88 -33.45 75.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.259 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.6 -39.49 88.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.17 172.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.16 -35.55 81.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.41 -39.35 79.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.212 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.56 -44.28 96.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.52 -42.06 96.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.5 -39.26 93.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -72.07 -45.5 60.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -60.97 -31.13 70.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 73.0 m -72.13 -9.19 58.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.243 -176.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 88.4 mt -96.06 -3.49 44.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.195 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -67.23 145.68 54.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.206 -175.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -76.27 155.71 34.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.221 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.988 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 177.135 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.556 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.9 p -73.29 -8.7 56.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 0.0 111.263 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -75.98 -11.18 59.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.189 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 96.5 mtp -60.42 140.73 57.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.76 -159.27 34.3 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -176.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.5 m -64.23 -53.29 51.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.198 -170.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -96.08 3.61 53.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 -167.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -76.09 -9.37 58.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.219 -174.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.73 -11.93 52.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.203 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.48 ' NZ ' ' OE2' ' A' ' 14' ' ' GLU . 65.3 tttm -67.66 -49.97 60.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -170.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -58.27 -33.67 69.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -174.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.8 m -66.04 -40.3 90.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.99 -39.31 94.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.312 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.48 ' OE2' ' NZ ' ' A' ' 10' ' ' LYS . 99.0 mt-10 -62.66 -43.09 99.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.247 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.79 -40.5 92.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 176.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.0 -44.12 96.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.223 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -56.59 -48.58 77.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.224 176.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.8 -44.81 70.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.212 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.62 -44.41 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.81 -48.3 75.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.26 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.32 -41.67 89.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -64.38 -39.23 93.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.93 -50.09 74.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.186 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.33 -40.94 94.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 -175.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.12 -39.06 92.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -146.41 84.11 8.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -55.2 135.43 68.9 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.691 1.594 . . . . 0.0 111.196 -178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.5 p -162.48 156.85 21.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.172 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.17 -38.12 76.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.237 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.6 -52.51 65.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -67.22 -33.03 74.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.258 -175.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.83 -49.02 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.203 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.9 t -65.21 -43.24 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -64.79 -38.71 91.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.6 -48.21 81.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 174.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.54 -45.93 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.253 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -54.76 -51.3 66.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.181 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.21 89.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.244 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.409 HG23 HD21 ' C' ' 43' ' ' ASN . 69.7 mt -61.9 -43.24 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.93 -43.1 95.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.3 -39.0 88.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -65.25 -47.5 76.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -56.05 -42.57 76.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.46 77.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.19 -38.15 89.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.232 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.47 -47.86 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.7 t -62.14 -44.39 98.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.99 -40.6 89.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.214 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.6 94.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.5 mt -62.55 -42.99 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -59.52 -38.36 80.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.82 -54.72 23.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.3 pt -70.56 -28.9 36.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -167.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.28 -34.51 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.207 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -69.61 -36.37 76.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 173.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.83 -38.55 91.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.176 173.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.5 -40.9 93.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 176.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.5 -39.36 87.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.248 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.24 -38.43 90.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.186 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.1 mt -61.8 -43.74 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.3 t -60.59 -44.51 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.26 175.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -61.74 -40.02 93.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.01 -42.76 99.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.1 -40.76 94.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -59.62 -44.45 93.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.285 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.65 89.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.206 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.54 -46.76 95.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.87 -45.18 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.233 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.8 -41.44 67.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.13 97.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.183 174.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.75 -31.93 72.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -57.5 -27.46 62.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.94 -32.19 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.454 ' C ' HD12 ' A' ' 74' ' ' ILE . 2.9 pp -121.51 -3.31 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -175.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.46 -24.36 7.51 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.22 144.92 48.7 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -174.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.92 -13.31 66.3 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 54.7 p -123.02 173.8 7.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.214 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -59.38 -32.8 70.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 -169.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 17.3 tt -56.54 -25.32 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.56 -45.33 94.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.44 -37.83 88.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -176.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -65.46 -39.85 92.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.99 -36.59 80.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.38 -42.17 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.253 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -64.02 -39.62 94.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.218 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -63.97 -39.08 93.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.23 -40.56 90.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.206 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.16 -43.49 95.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -62.19 -40.87 97.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.18 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.0 mt -61.73 -46.33 90.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.76 -39.65 81.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.32 -31.2 72.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 87.5 p -92.19 3.04 56.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.8 tp -85.6 119.1 25.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.231 -176.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -88.25 -5.42 58.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -79.46 132.57 36.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.032 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 178.15 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.576 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.2 p -73.24 -8.76 57.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 0.0 111.244 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -76.01 -11.11 59.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.188 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 96.6 mtp -60.51 140.81 57.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -176.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.86 -159.28 34.22 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 86.2 m -64.18 -53.32 51.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 111.215 -170.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -96.04 3.6 53.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 -167.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -76.08 -9.4 58.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 -174.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.2 mt -85.77 -11.9 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 174.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.475 ' NZ ' ' OE2' ' B' ' 14' ' ' GLU . 65.3 tttm -67.71 -49.94 60.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.21 -170.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -58.18 -33.79 69.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -174.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 73.6 m -66.03 -40.21 90.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.06 -39.27 94.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.256 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.475 ' OE2' ' NZ ' ' B' ' 10' ' ' LYS . 99.0 mt-10 -62.71 -43.08 99.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.79 -40.47 91.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 176.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 46.8 tp -63.04 -44.07 96.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -56.56 -48.66 76.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.79 -44.69 70.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.267 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.66 -44.43 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 59.0 tp -55.79 -48.33 75.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.27 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.28 -41.72 89.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.183 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -64.28 -39.32 93.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.288 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.92 -50.07 74.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.196 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.41 -40.91 93.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.06 -39.08 92.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.253 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -146.43 84.15 7.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -55.22 135.43 68.9 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.647 1.565 . . . . 0.0 111.235 -178.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 94.1 p -162.43 156.89 21.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.27 -38.14 76.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.62 -52.43 65.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -67.33 -32.93 74.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.24 -175.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.86 -48.95 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 64.9 t -65.27 -43.26 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -64.77 -38.77 92.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.25 81.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.165 174.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.44 -45.95 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.268 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -54.84 -51.29 66.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.15 89.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.231 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.88 -43.27 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.9 -43.07 94.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.28 -39.03 88.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.213 176.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -65.22 -47.55 76.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 177.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.402 HD21 HG23 ' C' ' 39' ' ' ILE . 91.3 m-20 -56.02 -42.6 76.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.214 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.22 -49.43 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -65.18 -38.17 89.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.48 -47.82 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 50.0 t -62.17 -44.32 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.271 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.99 -40.64 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.55 94.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.211 175.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.61 -42.94 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.202 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -59.54 -38.32 80.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.213 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.81 -54.76 22.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 31.2 pt -70.42 -28.99 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 -167.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.23 -34.5 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.235 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -69.56 -36.47 76.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 173.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.71 -38.6 91.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.257 173.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.44 -40.85 92.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.3 87.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.314 175.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.24 -38.45 90.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.23 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 85.2 mt -61.84 -43.68 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 56.6 t -60.63 -44.5 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.19 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.73 -40.0 93.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.26 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.0 -42.81 99.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.08 -40.8 95.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -59.64 -44.38 93.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.306 175.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.61 89.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.63 -46.63 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.88 -45.15 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.278 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.78 -41.5 67.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 178.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.19 97.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.203 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.74 -31.94 72.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.181 -176.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -57.57 -27.45 62.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.2 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.458 ' C ' HD12 ' B' ' 74' ' ' ILE . 2.9 pp -121.48 -3.31 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -175.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.52 -24.35 7.48 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.18 144.86 48.68 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -174.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.92 -13.23 66.43 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 55.2 p -123.03 173.89 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.769 0.319 . . . . 0.0 111.231 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -59.43 -32.88 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.225 -169.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 17.3 tt -56.44 -25.35 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.256 -176.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.51 -45.37 94.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.22 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.44 -37.87 88.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 -176.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -65.34 -39.79 92.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.254 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.98 -36.66 80.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.36 -42.18 90.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -64.05 -39.65 94.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -63.88 -39.14 93.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.26 -40.6 90.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.97 -43.62 95.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 177.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.24 -40.82 97.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 61.5 mt -61.69 -46.31 90.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.82 -39.65 81.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.234 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.25 -31.22 72.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 87.4 p -92.14 3.02 56.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.251 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 56.9 tp -85.61 119.14 25.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.216 -176.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -88.26 -5.46 58.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.229 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -79.4 132.58 36.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.241 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.01 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 178.196 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.601 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -73.25 -8.72 57.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 111.217 -176.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -76.02 -11.15 59.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 96.6 mtp -60.47 140.76 57.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.19 -176.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.83 -159.28 34.25 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 86.1 m -64.23 -53.3 51.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.74 0.305 . . . . 0.0 111.187 -170.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -96.04 3.62 53.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 -167.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -75.96 -9.53 58.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.253 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.65 -11.94 52.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.23 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' LYS . . . . . 0.487 ' NZ ' ' OE2' ' C' ' 14' ' ' GLU . 65.3 tttm -67.63 -50.01 60.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 -170.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -58.25 -33.69 69.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -174.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 73.5 m -66.11 -40.19 90.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.174 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.17 -39.2 93.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' GLU . . . . . 0.487 ' OE2' ' NZ ' ' C' ' 10' ' ' LYS . 99.0 mt-10 -62.68 -43.11 99.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.197 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.77 -40.57 92.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 176.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 46.9 tp -63.0 -44.11 96.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.213 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -56.6 -48.59 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.75 -44.82 70.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.258 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.53 -44.47 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.237 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.77 -48.33 75.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.272 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.32 -41.62 89.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -64.42 -39.2 93.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.252 176.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.0 -50.07 74.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.3 -40.94 94.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.196 -175.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.1 -39.04 92.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.263 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -146.46 84.16 7.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -55.21 135.33 68.47 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.745 1.63 . . . . 0.0 111.191 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 93.8 p -162.43 156.88 21.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.25 -38.15 76.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.63 -52.47 65.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -67.28 -32.96 74.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.268 -175.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 79.2 mt -62.8 -48.99 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.3 -43.23 95.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -64.74 -38.69 91.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.224 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.77 -48.06 82.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 174.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.61 -45.86 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.23 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -54.91 -51.16 66.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.17 90.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.261 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' ILE . . . . . 0.402 HG23 HD21 ' B' ' 43' ' ' ASN . 69.8 mt -61.91 -43.23 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 72.8 t -60.88 -43.11 94.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.29 -39.06 89.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -65.15 -47.55 76.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.246 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' ASN . . . . . 0.409 HD21 HG23 ' A' ' 39' ' ' ILE . 91.4 m-20 -55.97 -42.55 76.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.285 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.4 77.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.232 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.21 -38.14 89.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.238 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.46 -47.79 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.269 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 50.0 t -62.19 -44.39 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.97 -40.61 89.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.173 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.53 94.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.25 175.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 84.5 mt -62.6 -42.93 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.221 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -59.58 -38.28 80.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.85 -54.71 23.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.201 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 31.1 pt -70.56 -28.9 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -167.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.31 -34.52 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.239 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -69.53 -36.43 76.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 173.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.81 -38.55 91.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.176 173.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.49 -40.9 92.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.25 87.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.266 175.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.27 -38.49 90.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.198 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 85.3 mt -61.73 -43.71 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.208 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.66 -44.39 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.268 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.85 -40.02 93.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -62.99 -42.75 99.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -61.09 -40.81 95.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 176.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -59.66 -44.43 93.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.234 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.66 89.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.52 -46.74 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.87 -45.2 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.262 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.73 -41.41 67.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.179 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.85 -42.24 97.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.69 -31.92 72.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -57.61 -27.4 62.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.87 -32.26 70.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.206 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 74' ' ' ILE . . . . . 0.459 ' C ' HD12 ' C' ' 74' ' ' ILE . 2.9 pp -121.5 -3.31 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -175.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.51 -24.34 7.49 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.28 144.9 48.74 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -174.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.94 -13.36 66.22 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 55.6 p -122.99 173.88 7.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.752 0.311 . . . . 0.0 111.234 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -59.46 -32.71 70.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.22 -169.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 17.3 tt -56.61 -25.27 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.227 -176.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.55 -45.35 94.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.44 -37.9 89.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.215 -176.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -65.35 -39.86 92.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.94 -36.59 80.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.4 -42.23 91.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -64.03 -39.65 94.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.212 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.91 -39.18 93.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.14 -40.62 90.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.196 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.04 -43.57 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.24 -40.85 97.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 61.4 mt -61.64 -46.34 90.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.231 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.76 -39.7 81.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.35 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 87.3 p -92.16 2.97 56.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 56.9 tp -85.57 119.13 25.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.205 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -88.25 -5.43 58.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.254 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -79.4 132.57 36.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.018 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.175 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.609 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -78.89 -16.74 56.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.232 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -135.03 148.42 49.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 61.2 ttp -81.94 73.22 8.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.187 -172.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.62 -148.67 50.59 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 166.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.5 m -67.69 -37.88 82.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.834 0.35 . . . . 0.0 111.218 -168.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -55.85 -53.45 56.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -175.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -66.3 -35.28 79.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.2 tp -55.43 -49.88 71.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.287 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' NZ ' ' OE2' ' A' ' 14' ' ' GLU . 65.5 tttm -54.57 -49.1 71.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.176 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -59.27 -41.78 89.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 -178.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -63.33 -41.52 98.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.23 -30.07 63.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' OE2' ' NZ ' ' A' ' 10' ' ' LYS . 97.1 mt-10 -62.18 -41.19 98.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 170.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -70.43 -34.59 72.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.225 175.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 tp -55.06 -45.15 75.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -59.95 -45.97 90.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.21 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.88 -45.13 86.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.255 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.12 -47.28 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.2 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.0 tp -54.44 -54.25 43.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 176.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.7 -37.91 80.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -173.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -67.84 -43.38 79.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.44 -29.22 63.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 -175.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -63.0 -19.41 64.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.276 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.53 -25.31 67.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -153.48 83.89 4.4 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -74.42 61.1 5.1 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.696 1.598 . . . . 0.0 111.233 -171.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -77.25 165.16 24.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.231 170.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.25 -39.31 66.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.84 -49.41 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.429 ' OE1' ' HA ' ' A' ' 31' ' ' GLN . 9.2 mm100 -70.16 -35.46 74.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.154 -175.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.3 mt -65.74 -51.32 63.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 -178.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.6 p -66.68 -27.46 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -62.79 -42.62 99.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.231 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.42 86.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.95 -44.66 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -52.46 -48.83 65.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.41 -40.04 81.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.207 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.3 mt -65.46 -46.64 89.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.88 -45.32 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.202 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.83 -37.92 87.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -69.25 -32.64 71.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.187 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -61.88 -36.6 81.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.7 -36.17 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -67.93 -33.91 75.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.198 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.93 -51.99 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.51 -29.85 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.239 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -63.4 -43.23 98.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.209 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.78 -49.05 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 173.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.0 mt -56.84 -44.52 82.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.235 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -50.34 -50.45 51.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.202 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.15 82.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.25 -43.36 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.267 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.91 -44.34 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -64.61 -39.21 93.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.22 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.91 -40.79 98.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 175.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.66 -38.0 83.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.214 176.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.64 87.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.215 176.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.68 -38.4 89.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.36 -42.58 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.192 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.37 -44.25 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 76.0 mm-40 -64.68 -36.88 85.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 177.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.39 -45.63 92.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 174.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.6 -41.6 86.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -57.43 -53.22 60.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 174.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.38 83.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.238 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.59 -47.81 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.253 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.5 -45.13 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -62.42 -46.35 88.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.265 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.03 93.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.0 tp -60.68 -46.99 88.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.167 -176.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.07 -43.0 99.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 174.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.34 -38.47 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.227 -172.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.509 ' C ' HD12 ' A' ' 74' ' ' ILE . 2.7 pp -96.35 3.53 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -174.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.6 -137.56 4.06 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.46 -165.97 10.88 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.53 143.56 35.69 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.525 HG22 ' H ' ' A' ' 80' ' ' ILE . 40.5 m -154.18 136.24 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 111.129 176.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.473 ' NZ ' ' OE2' ' A' ' 83' ' ' GLU . 64.9 tttm -52.07 -41.24 62.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.225 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.525 ' H ' HG22 ' A' ' 78' ' ' THR . 96.3 mt -61.15 -39.59 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.218 -176.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.1 mt -55.73 -46.1 77.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.74 -37.35 84.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.204 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.473 ' OE2' ' NZ ' ' A' ' 79' ' ' LYS . 98.7 mt-10 -63.54 -40.25 96.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 177.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 73.9 mtm -66.13 -37.01 84.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.21 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -61.36 -37.46 83.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -67.22 -52.85 36.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.231 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.99 -36.08 82.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.8 tp -56.2 -51.96 66.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.4 -45.13 94.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.185 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -64.04 -37.27 86.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.69 -46.64 87.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.231 172.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.438 ' NZ ' ' OE2' ' A' ' 62' ' ' GLU . 60.2 tttp -56.57 -34.34 67.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 -177.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -54.17 -34.68 61.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.237 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.4 p -72.98 -14.3 61.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -170.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.25 -19.17 64.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -174.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -85.65 -1.57 57.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 -178.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -118.78 -41.0 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.007 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -178.489 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.549 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -78.94 -16.73 56.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 111.219 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -134.99 148.53 50.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 61.3 ttp -82.12 73.25 9.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -171.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.63 -148.68 50.6 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 166.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 90.9 m -67.73 -37.87 82.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 0.0 111.231 -168.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -55.85 -53.43 56.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.195 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.27 -35.24 79.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 43.9 tp -55.52 -49.97 71.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 174.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.449 ' NZ ' ' OE2' ' B' ' 14' ' ' GLU . 65.5 tttm -54.45 -49.11 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -59.29 -41.8 89.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -63.38 -41.4 98.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.209 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 88.4 mt -73.26 -29.99 63.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.22 -176.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.449 ' OE2' ' NZ ' ' B' ' 10' ' ' LYS . 97.1 mt-10 -62.21 -41.16 98.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.181 170.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.4 mmt180 -70.51 -34.57 72.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 175.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 tp -55.14 -45.12 75.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -59.91 -46.05 90.59 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.79 -45.23 86.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.252 175.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.01 -47.37 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 tp -54.39 -54.28 42.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.67 -37.93 80.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -67.82 -43.37 79.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.43 -29.26 63.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -175.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -63.01 -19.4 64.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.234 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.61 -25.22 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.205 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -153.46 83.86 4.41 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 178.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -74.4 61.08 5.08 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.705 1.604 . . . . 0.0 111.242 -171.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 82.9 p -77.16 165.08 25.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.245 170.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.25 -39.19 66.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.31 178.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.85 -49.47 72.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' B' ' 31' ' ' GLN . 9.2 mm100 -70.06 -35.57 74.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.173 -175.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 84.4 mt -65.65 -51.31 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.271 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.68 -27.46 40.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -177.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -62.91 -42.58 99.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 175.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.4 86.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 175.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.96 -44.62 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -52.61 -48.7 66.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.48 -40.04 81.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.4 -46.69 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -58.86 -45.29 91.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.24 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.8 -37.98 87.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -69.22 -32.73 72.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -61.81 -36.55 81.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.275 176.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.13 78.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.199 173.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -67.92 -34.03 75.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.82 -51.99 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.58 -29.81 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.233 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -63.37 -43.28 98.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 174.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 -49.05 76.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.186 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 87.7 mt -56.92 -44.41 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -50.43 -50.45 52.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.222 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.04 82.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.236 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.33 -43.37 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.228 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 56.6 t -60.89 -44.31 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -64.68 -39.27 93.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.207 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.81 -40.75 98.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 175.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.8 -37.9 83.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.6 87.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.24 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.71 -38.37 89.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 177.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.39 -42.53 96.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.255 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.37 -44.34 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.455 ' OE2' ' NZ ' ' B' ' 92' ' ' LYS . 76.1 mm-40 -64.6 -36.83 85.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.274 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.46 -45.48 92.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 174.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -58.8 -41.51 86.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -57.4 -53.21 60.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.168 174.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.42 83.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.56 -47.84 91.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.47 -45.06 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.234 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.49 -46.39 88.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.253 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.03 93.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.7 tp -60.59 -47.05 87.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.265 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.04 -42.95 99.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 173.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.55 80.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -172.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.499 ' C ' HD12 ' B' ' 74' ' ' ILE . 2.7 pp -96.32 3.5 9.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 -174.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.6 -137.59 4.06 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -177.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.43 -165.98 10.89 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.45 143.54 35.78 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.523 HG22 ' H ' ' B' ' 80' ' ' ILE . 40.4 m -154.17 136.18 14.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 111.162 176.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' LYS . . . . . 0.487 ' NZ ' ' OE2' ' B' ' 83' ' ' GLU . 64.9 tttm -51.94 -41.31 61.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.264 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ILE . . . . . 0.523 ' H ' HG22 ' B' ' 78' ' ' THR . 96.3 mt -61.18 -39.57 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.272 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 45.4 mt -55.67 -46.16 77.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -66.65 -37.42 84.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.487 ' OE2' ' NZ ' ' B' ' 79' ' ' LYS . 98.7 mt-10 -63.49 -40.28 96.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.292 176.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 74.0 mtm -66.11 -36.99 84.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.254 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.35 -37.48 83.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.159 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -67.17 -53.04 34.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.89 -35.95 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.23 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 45.6 tp -56.36 -51.95 66.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.217 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.22 -45.27 94.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -64.03 -37.19 86.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.215 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.82 -46.66 86.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.07 172.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.455 ' NZ ' ' OE2' ' B' ' 62' ' ' GLU . 60.2 tttp -56.48 -34.47 66.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -177.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -54.15 -34.67 60.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 67.8 p -72.96 -14.26 61.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 -170.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.29 -19.16 64.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 -174.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -85.65 -1.59 57.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.194 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -118.75 -40.94 2.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.977 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.463 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p -78.95 -16.75 56.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.383 . . . . 0.0 111.208 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -134.95 148.48 50.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.154 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 61.1 ttp -82.05 73.21 9.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.174 -172.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.65 -148.72 50.61 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 166.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 91.0 m -67.74 -37.88 82.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.361 . . . . 0.0 111.191 -168.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -55.77 -53.51 55.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -175.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.25 -35.24 79.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 44.2 tp -55.5 -49.93 71.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 174.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' LYS . . . . . 0.448 ' NZ ' ' OE2' ' C' ' 14' ' ' GLU . 65.6 tttm -54.64 -49.01 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -59.35 -41.73 89.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 68.8 m -63.39 -41.44 98.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.141 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.32 -30.03 63.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' GLU . . . . . 0.448 ' OE2' ' NZ ' ' C' ' 10' ' ' LYS . 97.1 mt-10 -62.1 -41.26 98.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 170.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -70.39 -34.62 72.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.231 175.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 66.2 tp -55.11 -45.04 75.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -60.02 -45.97 91.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.86 -45.23 86.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.257 175.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.91 -47.39 89.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.265 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 52.8 tp -54.37 -54.26 42.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.272 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.69 -37.93 80.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.206 -173.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -67.83 -43.36 79.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.43 -29.27 63.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -175.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -63.07 -19.35 64.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.61 -25.2 67.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -153.51 83.84 4.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -74.4 61.07 5.07 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.743 1.629 . . . . 0.0 111.232 -171.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 82.9 p -77.21 165.12 24.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 170.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.19 -39.27 66.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.285 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.87 -49.45 72.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.198 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' C' ' 31' ' ' GLN . 9.2 mm100 -70.18 -35.38 73.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.199 -175.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.74 -51.38 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.62 -27.45 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -62.9 -42.63 99.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.194 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.37 86.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 175.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.05 -44.64 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -52.49 -48.78 65.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.05 81.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.243 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 89.4 mt -65.41 -46.68 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.168 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.8 -45.39 91.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.243 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.75 -37.94 87.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -69.3 -32.68 71.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -61.89 -36.5 81.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.71 -36.21 78.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 173.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -67.91 -33.94 75.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.218 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.89 -52.05 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.217 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -66.56 -29.83 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.4 -43.21 98.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.219 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.98 76.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 87.9 mt -56.89 -44.49 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -50.29 -50.52 50.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.71 -40.08 82.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.29 -43.32 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.275 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.88 -44.38 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -64.59 -39.26 93.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.83 -40.76 98.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 175.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.67 -37.97 83.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.278 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.54 87.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.219 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.76 -38.34 88.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.211 177.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.45 -42.54 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.37 -44.23 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.219 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 62' ' ' GLU . . . . . 0.439 ' OE2' ' NZ ' ' C' ' 92' ' ' LYS . 76.1 mm-40 -64.65 -36.97 85.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 177.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -62.33 -45.6 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 174.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.69 -41.54 86.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.246 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -57.34 -53.24 60.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.39 -38.4 83.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -177.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 86.3 mt -62.53 -47.88 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.46 -45.11 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.192 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.41 -46.43 88.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.233 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.1 93.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 42.7 tp -60.57 -47.01 88.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.307 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.01 -42.96 99.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 173.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.37 -38.49 80.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -172.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 74' ' ' ILE . . . . . 0.505 ' C ' HD12 ' C' ' 74' ' ' ILE . 2.7 pp -96.34 3.46 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 -174.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.61 -137.59 4.06 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.4 -165.86 10.86 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.55 143.55 35.64 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.521 HG22 ' H ' ' C' ' 80' ' ' ILE . 40.8 m -154.2 136.15 14.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.173 176.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 79' ' ' LYS . . . . . 0.461 ' NZ ' ' OE2' ' C' ' 83' ' ' GLU . 64.9 tttm -51.9 -41.38 61.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 80' ' ' ILE . . . . . 0.521 ' H ' HG22 ' C' ' 78' ' ' THR . 96.3 mt -61.06 -39.64 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.266 -176.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 45.1 mt -55.68 -46.12 77.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.68 -37.41 84.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 83' ' ' GLU . . . . . 0.461 ' OE2' ' NZ ' ' C' ' 79' ' ' LYS . 98.7 mt-10 -63.55 -40.21 96.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.236 177.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 74.0 mtm -66.17 -37.01 84.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -61.4 -37.41 83.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -67.23 -52.97 34.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 175.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.82 -36.06 81.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.202 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 45.9 tp -56.26 -51.99 66.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 177.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.3 -45.18 94.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.97 -37.37 87.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.211 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.73 -46.56 87.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 172.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 92' ' ' LYS . . . . . 0.439 ' NZ ' ' OE2' ' C' ' 62' ' ' GLU . 60.2 tttp -56.64 -34.37 67.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -177.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -54.18 -34.68 61.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 66.3 p -72.89 -14.29 61.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.241 -170.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.29 -19.18 64.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -174.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -85.64 -1.54 57.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -118.82 -40.97 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.014 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -178.515 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.405 ' H ' ' HG3' ' A' ' 48' ' ' GLU . 70.6 m -108.33 13.57 25.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 111.161 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -62.31 129.4 40.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.206 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 19.8 mmt -134.79 174.98 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.231 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.92 177.13 47.86 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -175.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 99.4 m -61.9 -42.74 99.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.895 0.379 . . . . 0.0 111.233 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.48 -31.86 70.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -73.83 -40.75 63.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.3 mt -64.43 -40.77 96.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.264 172.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -59.43 -49.7 76.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.176 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -60.15 -39.65 87.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.304 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.4 m -62.44 -41.53 98.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.93 -40.12 96.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.69 -39.21 93.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -64.2 -41.68 96.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.191 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.51 -41.71 94.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.235 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -59.99 -47.82 84.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.166 175.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -52.68 -50.01 64.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.1 mm -70.91 -40.07 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.5 tp -56.5 -47.59 78.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.189 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.83 -40.71 89.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.236 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.26 -40.12 92.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.259 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.4 mt -65.37 -41.16 94.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.78 -36.8 79.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -81.16 -48.27 12.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -139.1 83.62 17.78 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 -173.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.88 141.54 85.39 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.66 1.574 . . . . 0.0 111.231 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.4 t -167.33 145.91 4.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.303 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.3 -32.32 64.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.75 -48.69 79.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -75.6 -31.1 59.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.7 mt -61.97 -47.4 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.25 -40.83 90.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.165 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -61.0 -40.36 93.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 175.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.92 88.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.258 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -60.24 -45.25 96.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -49.86 -54.64 18.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.186 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.73 83.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 86.2 mt -65.0 -47.66 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.71 -44.32 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.186 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.39 -40.56 96.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 177.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -63.01 -44.72 95.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.27 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -59.9 -40.92 90.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.91 -41.2 86.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -64.7 -42.89 94.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.5 mt -63.21 -48.47 87.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.233 -176.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.41 -48.62 84.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.284 -175.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 2' ' ' SER . 74.9 mm-40 -69.84 -37.35 76.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.243 -177.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.56 85.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.157 177.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.68 -44.23 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.183 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -56.08 -41.12 74.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.76 -36.06 69.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.9 -40.56 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.159 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.8 -40.09 85.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -62.2 -38.66 89.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 174.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.89 -38.05 89.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.261 175.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.58 -38.17 86.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.65 89.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.186 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.23 -39.66 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.0 mt -62.86 -41.68 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.249 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.6 t -56.79 -50.25 75.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.241 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.75 -35.36 79.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.149 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.37 -50.61 69.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 174.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -59.28 -38.99 81.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.201 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.29 -53.56 55.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.256 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.71 -37.2 78.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 94.2 mt -65.48 -48.03 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.196 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.59 -44.0 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.231 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.52 -44.33 96.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.34 93.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.468 ' C ' HD23 ' A' ' 71' ' ' LEU . 7.4 tt -59.73 -49.78 76.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.2 -43.85 78.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.26 177.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.61 69.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 pt -106.38 10.92 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.244 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.17 -177.49 50.8 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -168.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.67 -88.71 1.32 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.85 -173.95 48.97 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.5 p -125.28 20.1 8.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.752 0.311 . . . . 0.0 111.219 -174.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.2 -51.53 8.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 -167.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.1 pt -120.66 24.08 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 tp -64.0 -47.98 78.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.8 -35.83 79.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.195 178.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.93 -44.63 96.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 76.8 mtm -62.18 -41.86 98.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.271 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -68.43 -42.52 78.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.62 -50.1 73.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.285 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.1 -38.25 82.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.41 -50.31 74.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.249 175.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.4 -42.0 93.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.1 -42.42 94.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.8 -45.26 87.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -59.4 -42.77 92.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.09 -30.98 72.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 178.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.5 m -79.59 -0.6 34.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -174.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.8 -11.24 60.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -82.08 -3.88 55.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.321 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -98.45 154.88 17.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.057 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 177.533 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.57 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.6 m -108.33 13.55 25.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.331 . . . . 0.0 111.146 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -62.27 129.39 40.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.218 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 19.8 mmt -134.79 174.97 9.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.266 177.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.91 177.13 47.89 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 100.0 m -61.91 -42.79 99.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.904 0.383 . . . . 0.0 111.21 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.41 -31.99 70.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.187 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -73.65 -40.79 63.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.243 -176.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.48 -40.8 96.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 172.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -59.38 -49.69 76.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.191 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -60.15 -39.67 87.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.234 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -62.45 -41.55 98.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.188 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.92 -40.1 96.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.63 -39.22 93.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.241 177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -64.21 -41.68 96.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.227 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 63.6 mt -60.51 -41.7 94.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.236 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.06 -47.75 84.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -52.65 -50.02 64.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.251 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 48.1 mm -70.99 -39.97 75.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 tp -56.63 -47.52 79.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.77 -40.79 89.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.279 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.22 -40.11 92.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.278 176.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.3 mt -65.38 -41.09 94.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.296 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.8 -36.81 79.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -81.18 -48.14 12.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.271 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -139.2 83.58 17.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 -173.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -55.88 141.55 85.42 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.601 1.534 . . . . 0.0 111.244 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 31.4 t -167.27 145.9 4.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.317 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.38 -32.23 64.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.83 -48.64 79.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -75.6 -31.15 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 -178.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.0 mt -61.95 -47.4 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.23 -40.88 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.168 177.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.9 -40.39 92.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.225 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.71 -46.88 88.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.312 175.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -60.34 -45.19 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.191 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -49.86 -54.64 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.89 83.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.24 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.0 -47.69 87.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.123 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.69 -44.31 98.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.33 -40.6 96.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -63.05 -44.64 95.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.336 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -59.96 -40.86 90.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.286 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.27 86.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -64.75 -42.8 94.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 81.4 mt -63.29 -48.56 86.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.188 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 42.3 t -58.31 -48.59 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.285 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -69.87 -37.37 76.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 -177.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.49 85.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 177.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.59 -44.33 89.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.226 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -56.03 -41.12 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.77 -36.06 69.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.83 -40.67 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.126 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.73 -40.13 85.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.099 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.13 -38.68 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.098 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.92 -38.08 89.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -61.49 -38.2 86.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.221 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.73 89.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.229 176.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -64.18 -39.67 94.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 84.9 mt -62.89 -41.7 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 43.3 t -56.8 -50.23 75.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.256 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -66.78 -35.26 79.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.43 -50.74 68.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 174.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -59.16 -39.05 81.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.178 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.23 -53.56 55.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.71 -37.18 78.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.231 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.49 -47.99 84.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.25 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.55 -44.06 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.66 -44.19 96.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.84 -45.43 92.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.466 ' C ' HD23 ' B' ' 71' ' ' LEU . 7.4 tt -59.58 -49.82 76.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.305 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.21 -43.72 78.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.321 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.54 -33.61 70.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -177.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 pt -106.35 10.83 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.186 -177.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.15 -177.58 50.83 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -168.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.58 -88.76 1.33 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.78 -173.9 48.85 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 174.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 70.7 p -125.37 20.12 8.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.347 . . . . 0.0 111.254 -174.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.17 -51.47 8.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.241 -167.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 44.0 pt -120.75 24.11 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.215 -176.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 60.5 tp -63.99 -47.96 78.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.88 -35.74 79.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.199 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.96 -44.65 97.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.285 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 76.9 mtm -62.05 -42.0 98.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.322 177.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -68.24 -42.56 79.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.285 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.7 -50.07 73.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.288 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.0 -38.29 82.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.21 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.43 -50.34 74.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.23 175.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.41 -41.98 93.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 -177.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.99 -42.53 94.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 60.6 tp -64.73 -45.2 87.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -59.51 -42.67 92.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.13 -30.98 72.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 68.4 m -79.64 -0.5 34.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.21 -174.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 90.3 mt -68.86 -11.16 60.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.175 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -82.09 -3.9 55.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.321 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -98.54 154.91 17.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.182 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.071 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 177.535 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' SER . . . . . 0.408 ' H ' ' HG3' ' C' ' 48' ' ' GLU . 70.3 m -108.34 13.6 25.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.754 0.311 . . . . 0.0 111.158 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -62.23 129.4 40.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 19.8 mmt -134.84 174.97 10.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.217 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.91 177.2 47.91 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -175.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 100.0 m -61.91 -42.79 99.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.934 0.397 . . . . 0.0 111.235 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.47 -31.89 70.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -73.75 -40.74 63.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.189 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.49 -40.81 96.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.237 172.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -59.36 -49.63 77.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.259 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -60.16 -39.68 87.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.27 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.5 m -62.53 -41.42 98.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.99 -40.15 96.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.64 -39.2 93.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.216 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -64.17 -41.72 97.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.244 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.43 -41.72 94.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.301 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.05 -47.75 84.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 175.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -52.74 -49.98 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.123 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 48.2 mm -70.97 -39.96 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 -176.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 53.3 tp -56.59 -47.55 79.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.78 -40.81 89.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.194 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.15 -40.16 92.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.309 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 mt -65.35 -41.16 94.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.78 -36.77 79.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.186 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -81.19 -48.14 12.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.279 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -139.18 83.54 17.72 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 -173.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -55.92 141.59 85.68 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.626 1.55 . . . . 0.0 111.272 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 31.4 t -167.36 145.93 4.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.28 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.44 -32.25 64.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.76 -48.64 79.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -75.64 -31.13 59.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.95 -47.37 93.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.27 -40.86 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.159 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -61.01 -40.31 93.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.88 88.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.269 175.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.32 -45.18 96.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -49.93 -54.63 18.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.84 83.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.244 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 86.0 mt -65.04 -47.76 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.52 -44.39 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.34 -40.59 96.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 177.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -62.94 -44.76 95.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.336 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -59.96 -40.86 90.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.256 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.31 86.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -64.71 -42.78 95.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.11 176.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 81.4 mt -63.3 -48.55 86.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.13 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.39 -48.61 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 -175.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' GLU . . . . . 0.408 ' HG3' ' H ' ' C' ' 2' ' ' SER . 74.9 mm-40 -69.81 -37.38 76.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 -177.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.37 -47.57 85.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.183 177.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 79.2 mt -58.53 -44.4 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.19 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -55.97 -41.06 74.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.209 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.87 -35.96 69.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.93 -40.66 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 70.8 t -61.68 -40.19 85.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.095 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.12 -38.63 89.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.134 174.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.95 -38.01 89.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.245 176.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -61.52 -38.21 86.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.73 89.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.26 -39.55 94.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 175.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.93 -41.73 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 43.6 t -56.68 -50.3 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.264 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.77 -35.29 79.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.43 -50.64 68.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.276 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -59.17 -39.01 81.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.26 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.23 -53.65 54.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.205 176.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.67 -37.2 78.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.168 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 94.1 mt -65.46 -48.03 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.59 -44.03 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.58 -44.23 96.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.255 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.31 93.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 71' ' ' LEU . . . . . 0.467 ' C ' HD23 ' C' ' 71' ' ' LEU . 7.4 tt -59.74 -49.8 76.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 -178.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.18 -43.79 78.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.287 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.55 -33.56 70.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 pt -106.35 10.82 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.166 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.2 -177.56 50.78 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -168.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.6 -88.71 1.32 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.84 -173.95 48.96 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 174.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 69.5 p -125.31 20.12 8.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.863 0.363 . . . . 0.0 111.256 -174.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.24 -51.48 8.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -167.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 44.0 pt -120.73 24.2 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.233 -176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 60.2 tp -64.02 -47.98 78.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.88 -35.71 79.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.06 -44.58 97.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.257 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 76.8 mtm -62.16 -41.92 98.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.248 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -68.31 -42.53 79.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.252 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.71 -50.08 73.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.236 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.05 -38.22 82.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.198 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.48 -50.37 74.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 175.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.28 -42.07 93.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.01 -42.44 94.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.212 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.78 -45.23 87.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -59.49 -42.73 92.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.1 -30.95 72.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 68.9 m -79.6 -0.56 34.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.246 -174.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.83 -11.19 60.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -82.21 -3.76 55.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.335 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -98.56 154.96 17.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.211 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.033 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 177.612 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.552 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -87.64 171.85 10.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.72 0.295 . . . . 0.0 111.258 170.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.483 ' H ' ' HB1' ' A' ' 52' ' ' ALA . 99.1 m-70 -98.64 9.06 44.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.197 171.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 60.2 ttm -139.75 128.98 23.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.243 173.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.34 149.17 49.64 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -174.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.0 p -90.13 -5.62 56.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.816 0.341 . . . . 0.0 111.189 176.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.53 -39.11 92.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 175.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.4 -37.94 87.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.261 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.66 -42.73 95.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.242 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -65.28 -39.83 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -57.01 -47.96 79.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.182 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.7 m -60.54 -40.13 90.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.1 mt -62.06 -40.32 95.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.218 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.31 -37.43 87.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -64.03 -42.88 96.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.28 174.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.55 -39.04 92.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.211 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -57.26 -50.75 71.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -58.48 -43.43 88.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.75 -42.73 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.8 mt -59.29 -43.93 92.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.241 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.46 -43.9 96.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.208 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.52 -38.18 86.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.7 tp -64.43 -47.62 78.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.73 -42.01 78.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.245 -176.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.99 -41.63 86.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -137.45 79.14 36.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.211 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -54.56 134.89 64.28 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.718 1.612 . . . . 0.0 111.232 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.9 p -165.33 156.14 13.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.53 -37.55 75.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.184 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.61 -52.35 65.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.226 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -67.39 -35.27 78.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -177.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -63.35 -49.28 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.23 -45.58 95.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.31 -39.85 95.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.39 86.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 176.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.1 mt -61.69 -46.9 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.255 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.98 -47.15 83.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.249 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.29 83.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.09 -44.7 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.267 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.35 -42.65 94.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.267 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -58.64 -47.09 85.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.222 174.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -57.76 -43.81 85.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.236 176.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -60.19 -40.35 89.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.3 -41.48 89.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -65.37 -40.11 93.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.0 mt -62.23 -50.72 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.54 -45.81 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.258 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -64.07 -39.46 94.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.193 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.78 84.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.23 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.4 mt -57.45 -44.62 84.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -54.85 -46.06 74.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.483 ' HB1' ' H ' ' A' ' 3' ' ' HIS . . . -57.57 -39.53 76.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 178.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.92 -46.1 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 176.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.45 -46.76 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.195 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.91 -40.84 97.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.259 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -67.2 -37.28 83.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.211 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.53 -39.9 85.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.3 88.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -66.95 -38.1 85.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.281 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.9 mt -61.41 -43.43 96.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.18 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.73 -44.6 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.89 -40.3 94.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.248 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.73 -45.06 91.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -60.37 -38.36 83.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.18 -47.75 84.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.258 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.88 -38.09 84.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.88 -44.73 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.23 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.94 -43.23 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.245 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.62 -39.77 77.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.196 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.5 95.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.157 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.1 mt -58.55 -44.99 89.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 175.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -55.0 -46.56 75.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 175.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.2 -37.29 74.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.192 -175.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.2 pt -102.54 13.7 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 -173.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.5 -1.84 32.9 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.62 147.42 49.81 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -171.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.18 -24.57 27.51 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.7 p -131.04 169.96 15.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.717 0.294 . . . . 0.0 111.263 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -61.92 -29.5 70.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 -171.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.84 -23.13 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.24 -177.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.9 tp -51.83 -52.22 50.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 175.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.01 -40.39 65.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -172.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.1 -36.5 84.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -175.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 73.6 mtm -74.46 -39.93 62.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.33 -35.4 69.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.229 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.74 -26.68 62.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.68 -25.61 66.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.97 -35.3 79.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.26 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.42 -38.76 74.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.47 -39.51 77.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.238 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.3 tp -71.25 -38.57 71.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.68 -26.55 14.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.158 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -58.15 -22.98 53.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.5 p -112.31 10.85 20.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.221 -177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.6 tp -91.68 125.67 36.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 -174.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -78.48 149.14 33.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.273 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -130.64 153.69 48.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.182 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.95 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 176.341 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.533 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 90.0 p -87.65 171.88 10.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.79 0.329 . . . . 0.0 111.235 170.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' HIS . . . . . 0.48 ' H ' ' HB1' ' B' ' 52' ' ' ALA . 99.1 m-70 -98.68 9.16 43.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.202 171.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 60.2 ttm -139.82 128.96 23.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 173.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.3 149.19 49.7 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -174.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 80.2 p -90.12 -5.62 56.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.351 . . . . 0.0 111.208 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.53 -39.1 92.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.215 175.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.44 -37.91 87.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.217 176.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.69 -42.69 95.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.266 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -65.27 -39.82 93.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.222 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -57.09 -47.86 80.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 55.8 m -60.57 -40.17 90.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.03 -40.35 95.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.237 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -65.21 -37.6 87.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -63.92 -43.01 97.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.53 -38.91 91.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.254 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -57.43 -50.61 72.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 177.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -58.63 -43.35 89.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 87.6 mt -60.78 -42.72 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 63.7 mt -59.26 -44.0 92.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.44 -43.86 96.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.216 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.47 -38.25 86.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.41 -47.57 78.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -68.88 -41.96 77.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -176.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.93 -41.71 86.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.208 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -137.4 79.18 36.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.217 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -54.53 134.98 64.59 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.73 1.62 . . . . 0.0 111.172 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.2 p -165.43 156.12 13.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.61 -37.44 75.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.63 -52.33 65.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -67.48 -35.27 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.225 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.31 -49.33 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.26 -45.55 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.29 -39.98 96.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.37 86.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.246 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.72 -46.95 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.172 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.95 -47.25 83.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.156 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.25 -38.39 83.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.0 mt -64.06 -44.65 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.306 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.4 -42.68 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -58.63 -47.07 85.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.235 174.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -57.77 -43.84 85.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.14 -40.39 89.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.53 89.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -65.31 -40.16 93.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.16 -50.7 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.61 -45.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -175.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.9 -39.45 94.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.274 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.67 -46.72 84.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.204 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 90.1 mt -57.4 -44.72 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -54.77 -46.05 74.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ALA . . . . . 0.48 ' HB1' ' H ' ' B' ' 3' ' ' HIS . . . -57.63 -39.52 77.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 178.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.93 -46.06 95.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.45 -46.83 92.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.216 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.86 -40.91 97.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.299 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -67.14 -37.27 83.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.228 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -59.57 -39.69 84.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.23 89.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.201 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -66.99 -38.17 85.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 79.1 mt -61.39 -43.45 96.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.206 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.71 -44.6 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 176.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -61.88 -40.33 95.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.281 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.61 -45.2 91.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 177.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.3 -38.4 83.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.17 -47.71 84.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.275 176.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.9 -38.03 84.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.219 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.88 -44.77 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.88 -43.27 96.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.24 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.68 -39.69 77.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.208 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.44 95.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.62 -45.04 90.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -54.98 -46.44 75.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.294 175.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.31 -37.2 74.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 -175.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 47.3 pt -102.68 13.76 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 -173.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.52 -1.87 32.84 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.61 147.34 49.82 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -171.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.26 -24.63 27.24 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 82.6 p -130.96 169.97 15.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 111.175 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -61.89 -29.56 70.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -171.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.87 -23.06 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 -177.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.8 tp -51.97 -52.14 52.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.08 -40.3 65.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.17 -172.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.19 -36.46 84.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -175.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 73.6 mtm -74.48 -39.93 62.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 175.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.35 -35.35 69.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.18 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.83 -26.62 62.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.73 -25.58 66.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.98 -35.31 79.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.4 -38.7 74.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -176.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -69.59 -39.44 77.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.243 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 54.0 tp -71.14 -38.68 72.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.7 -26.44 13.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 -174.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -58.2 -22.96 53.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 -177.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 83.3 p -112.39 10.88 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 51.3 tp -91.54 125.65 36.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.274 -174.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -78.54 149.16 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.249 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -130.54 153.7 48.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.937 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.205 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.556 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 90.2 p -87.56 171.88 10.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.836 0.35 . . . . 0.0 111.234 170.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' HIS . . . . . 0.484 ' H ' ' HB1' ' C' ' 52' ' ' ALA . 99.1 m-70 -98.64 9.04 44.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 171.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 60.2 ttm -139.79 128.97 23.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 173.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.31 149.14 49.64 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 81.2 p -90.1 -5.6 56.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 111.2 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.61 -39.03 92.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.41 -37.95 87.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.252 176.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.71 -42.68 95.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.246 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -65.27 -39.78 93.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.275 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -57.2 -47.77 80.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 174.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 55.9 m -60.54 -40.23 90.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.99 -40.37 95.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -65.23 -37.52 87.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.194 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -64.02 -42.9 96.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.55 -38.98 92.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.234 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -57.36 -50.72 72.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -58.5 -43.36 89.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.79 -42.83 93.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 64.3 mt -59.19 -43.94 92.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.43 -43.93 96.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.42 -38.21 86.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.41 -47.53 78.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.87 -42.02 77.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.96 -41.64 86.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.41 79.13 36.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -54.58 134.96 64.71 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.706 1.604 . . . . 0.0 111.237 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -165.36 156.15 13.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.59 -37.5 75.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 174.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.63 -52.38 65.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -67.36 -35.36 79.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.27 -49.3 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.29 -45.63 95.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.22 -39.92 95.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.38 86.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.183 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.8 -47.0 95.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.89 -47.24 83.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.37 83.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.191 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.16 -44.7 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.231 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 79.6 t -61.28 -42.75 94.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.183 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -58.57 -47.21 85.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 174.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -57.67 -43.8 85.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.299 176.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.25 -40.3 89.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.53 89.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -65.33 -40.15 93.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 176.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.21 -50.67 79.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.64 -45.83 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -175.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -63.91 -39.47 94.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.278 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.77 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.184 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 90.3 mt -57.45 -44.66 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -54.8 -45.96 74.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.212 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 52' ' ' ALA . . . . . 0.484 ' HB1' ' H ' ' C' ' 3' ' ' HIS . . . -57.62 -39.59 77.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.85 -46.03 95.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.273 176.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.51 -46.82 92.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 -178.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.87 -40.88 97.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.297 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -67.16 -37.27 83.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.216 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -59.6 -39.75 85.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.19 88.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -67.08 -37.99 84.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.289 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 79.3 mt -61.42 -43.48 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.191 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.68 -44.68 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 176.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.82 -40.32 94.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.261 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.78 -45.07 91.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -60.29 -38.41 83.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.15 -47.78 84.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.222 176.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.9 -38.0 84.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.188 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.9 -44.71 98.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.05 -43.1 96.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.72 -39.7 77.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.195 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.42 95.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.66 -44.97 90.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -55.03 -46.51 75.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 175.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.23 -37.21 74.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.267 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 47.2 pt -102.64 13.73 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 -173.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.47 -1.9 32.96 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.57 147.37 49.75 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -171.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.16 -24.58 27.53 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 82.6 p -130.9 169.97 15.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.735 0.303 . . . . 0.0 111.246 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -61.86 -29.55 70.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 -171.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.89 -23.01 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.246 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 53.0 tp -51.9 -52.24 51.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 175.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.09 -40.25 65.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.198 -172.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.2 -36.43 84.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -175.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 73.5 mtm -74.47 -39.89 62.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.255 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.35 -35.38 69.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.185 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.76 -26.72 62.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.67 -25.54 66.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.11 -35.19 79.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.41 -38.79 74.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.51 -39.49 77.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.245 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 53.9 tp -71.18 -38.62 72.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.8 -26.46 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -174.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -58.18 -22.86 53.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.27 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 83.2 p -112.42 10.93 19.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.198 -177.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 51.6 tp -91.74 125.7 36.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.2 -174.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -78.5 149.2 33.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.286 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -130.64 153.65 48.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.947 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 176.249 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.58 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.4 p -70.96 160.18 33.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 111.232 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -129.69 137.01 50.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 90.7 mmm -90.04 149.21 22.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 172.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.43 -148.17 45.07 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -178.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.5 p -123.06 -25.12 4.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 111.217 -172.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.17 -47.56 82.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -160.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -63.8 -49.36 73.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 -173.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.4 mt -81.13 -30.2 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 -172.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.21 -44.99 88.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -53.26 -48.05 68.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.5 m -59.42 -41.28 89.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.0 mt -65.71 -38.4 89.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.241 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.06 -36.44 84.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -58.19 -47.35 83.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 173.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.6 -40.15 96.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -60.99 -57.18 13.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.92 -46.34 89.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 -176.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.23 -42.04 93.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.507 HD13 ' C ' ' A' ' 20' ' ' LEU . 3.2 tm? -63.96 -48.29 77.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.248 178.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -58.91 -44.46 91.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -62.72 -40.93 98.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.246 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.1 tp -59.97 -50.24 74.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.234 176.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.33 -41.61 98.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.296 -174.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.64 -41.07 93.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.93 79.5 32.86 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -57.03 142.95 94.08 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.649 1.566 . . . . 0.0 111.214 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -161.5 158.62 26.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.27 -25.0 67.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -75.15 -54.79 6.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.251 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -73.03 -30.51 63.8 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.073 -171.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 tp -62.91 -28.29 44.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.782 0.325 . . . . 0.0 111.196 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.5 t -83.2 -44.09 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 175.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.83 -39.44 89.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.8 -38.18 81.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.41 -44.85 71.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.259 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -54.66 -47.99 72.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.236 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.94 -38.93 76.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.242 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.3 mt -65.12 -43.95 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.87 -42.99 91.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.68 -42.8 97.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.125 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -65.64 -40.21 92.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.253 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.34 -39.23 86.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.16 -42.15 90.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -66.22 -42.43 88.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.9 mt -60.22 -51.6 71.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 50.7 t -64.16 -43.77 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -58.72 -43.78 90.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.58 96.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.5 mt -62.83 -45.14 99.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.244 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -55.08 -44.09 74.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 177.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.24 -46.17 88.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.3 mt -61.09 -45.55 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -176.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.91 -47.53 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -64.93 -38.9 92.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.242 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -64.01 -41.3 97.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.76 -39.25 93.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.302 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.98 86.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.76 -39.43 93.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 86.5 mt -63.2 -42.68 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.207 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.8 t -58.87 -43.95 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -61.22 -43.07 99.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.192 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.5 -43.56 96.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.209 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.37 -37.73 86.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -58.1 -48.54 79.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 174.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.79 -37.96 86.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.13 -44.14 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.76 -45.52 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.249 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.84 -40.5 76.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.207 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.71 -43.29 90.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.191 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.89 -42.77 99.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -61.16 -35.8 78.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.248 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.18 -58.97 4.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.6 pt -81.34 -12.91 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.183 -172.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.69 18.13 48.06 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.42 132.43 46.47 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.74 -13.66 63.68 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.1 p -82.93 169.19 16.3 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.364 0.602 . . . . 0.0 111.052 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -85.51 -24.16 27.43 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.251 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 33.5 pt -60.98 -14.63 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.11 -36.22 76.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 177.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.53 -36.41 83.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 -172.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.23 -42.53 17.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.237 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 65.1 mtm -63.66 -41.15 98.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.216 -173.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.65 -37.22 85.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.12 -46.67 70.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.11 -38.25 88.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.208 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.483 ' C ' HD23 ' A' ' 88' ' ' LEU . 8.8 tt -59.16 -50.21 74.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.258 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.18 -44.62 94.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -177.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.33 -39.1 74.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.22 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.99 -50.3 74.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.256 176.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.85 -45.87 71.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -60.16 -38.75 84.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.209 -177.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.2 p -68.09 -16.01 63.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 -175.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.441 ' C ' HD23 ' A' ' 95' ' ' LEU . 10.2 tt -51.12 -41.11 59.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -79.94 10.13 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 -169.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -126.21 -1.77 7.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 172.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.012 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 -172.199 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.631 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -71.02 160.19 33.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 111.211 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -129.68 136.98 50.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 90.7 mmm -90.03 149.22 22.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 172.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.36 -148.07 45.04 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 67.5 p -123.07 -25.29 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 111.16 -172.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.1 -47.56 82.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 -160.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -63.83 -49.32 73.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -173.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -81.17 -30.21 34.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -172.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.2 -45.01 88.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 174.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -53.13 -48.25 68.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.225 176.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 73.4 m -59.37 -41.26 88.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.251 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 72.2 mt -65.64 -38.43 89.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.225 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.1 -36.42 83.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -58.24 -47.26 84.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.252 173.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.62 -40.02 95.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -61.16 -57.08 13.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.145 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.94 -46.36 89.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.219 -176.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.12 -42.08 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.248 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.514 HD13 ' C ' ' B' ' 20' ' ' LEU . 3.2 tm? -64.03 -48.29 76.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.182 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -58.88 -44.38 91.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -62.8 -40.89 98.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.261 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.95 -50.27 74.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 176.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.37 -41.67 98.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.19 -174.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.65 -41.03 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.146 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.9 79.52 32.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.245 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -57.04 142.92 94.14 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.742 1.628 . . . . 0.0 111.142 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 93.1 p -161.48 158.61 26.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.28 -25.03 67.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -75.13 -54.84 6.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -72.95 -30.56 63.95 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.094 -171.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 tp -62.9 -28.31 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.791 0.329 . . . . 0.0 111.132 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 72.8 t -83.22 -44.1 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 175.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.77 -39.54 89.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.77 -38.15 81.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.2 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -71.43 -44.86 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -54.59 -48.01 72.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.245 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.03 -38.89 77.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 83.5 mt -65.16 -43.99 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.82 -43.01 90.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.62 -42.83 97.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.152 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -65.63 -40.25 92.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.33 -39.18 86.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.15 90.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -66.27 -42.33 88.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.3 -51.6 71.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.189 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 51.0 t -64.1 -43.9 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -177.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -58.56 -43.91 89.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.229 178.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.55 96.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.8 -45.22 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.25 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -55.06 -44.07 74.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.28 -46.18 87.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.15 -45.46 98.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -176.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.95 -47.54 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.19 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.04 -38.75 91.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.26 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -64.09 -41.2 97.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.272 176.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.78 -39.29 93.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.251 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.92 86.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.74 -39.49 93.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.11 -42.77 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.205 175.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 45.7 t -58.85 -43.99 89.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -61.28 -42.96 99.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.199 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -63.59 -43.49 96.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.221 176.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.32 -37.84 87.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.19 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -57.9 -48.66 79.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 174.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.97 86.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.12 -44.07 94.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.81 -45.54 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.198 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.75 -40.57 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.222 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.74 -43.24 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.221 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.94 -42.76 99.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.192 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -61.13 -35.84 78.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.23 -58.92 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.273 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 pt -81.28 -12.94 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.212 -172.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.63 18.1 48.33 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.37 132.39 46.27 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.73 -13.61 63.75 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 176.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 61.5 p -82.92 169.23 16.26 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 121.419 0.628 . . . . 0.0 111.03 -178.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -85.53 -24.21 27.38 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.208 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.4 pt -60.95 -14.6 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.241 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.14 -36.23 77.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.277 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.62 -36.24 83.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.188 -172.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.26 -42.53 17.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.278 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 65.2 mtm -63.73 -41.13 98.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -173.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.56 -37.31 85.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.07 -46.72 70.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 175.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.1 -38.18 87.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.475 HD23 ' C ' ' B' ' 88' ' ' LEU . 8.8 tt -59.26 -50.18 75.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.18 -44.64 94.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 -176.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.29 -39.2 75.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.92 -50.37 74.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.246 176.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.8 -45.88 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.216 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -60.18 -38.78 84.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.216 -177.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 53.4 p -68.07 -16.01 63.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 -175.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.435 ' C ' HD23 ' B' ' 95' ' ' LEU . 10.3 tt -51.17 -41.03 59.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -79.95 10.08 4.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.252 -169.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -126.23 -1.64 7.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 172.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.003 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -172.241 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.601 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p -71.05 160.18 33.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.216 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -129.68 137.03 50.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 90.8 mmm -90.06 149.23 22.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 172.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.36 -148.14 45.14 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 67.4 p -123.02 -25.33 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 0.0 111.162 -172.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -57.98 -47.66 82.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.203 -160.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -63.8 -49.32 73.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.196 -173.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -81.17 -30.19 34.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -172.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.25 -44.94 88.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 174.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -53.17 -48.21 68.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 73.4 m -59.44 -41.28 89.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 72.0 mt -65.65 -38.44 89.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.13 -36.39 83.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -58.2 -47.42 83.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 173.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.47 -40.21 96.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.161 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -61.02 -57.11 13.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.98 -46.28 89.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.243 -176.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.12 -42.15 93.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.216 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' LEU . . . . . 0.511 HD13 ' C ' ' C' ' 20' ' ' LEU . 3.2 tm? -63.98 -48.3 76.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 178.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -58.92 -44.38 91.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.208 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -62.76 -40.88 98.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.267 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.03 -50.26 74.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.44 -41.56 98.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.191 -174.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.57 -41.16 93.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.176 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.83 79.53 33.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.238 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -57.07 142.94 94.22 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.667 1.578 . . . . 0.0 111.183 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 93.5 p -161.47 158.62 26.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.209 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.18 -25.09 67.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -75.1 -54.82 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -72.97 -30.58 63.94 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.04 -171.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 tp -62.86 -28.33 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.714 0.292 . . . . 0.0 111.148 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 72.3 t -83.28 -43.97 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.195 175.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.8 -39.55 89.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.66 -38.23 80.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.262 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.36 -44.93 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -54.58 -48.06 72.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.198 176.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.01 -38.85 76.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.234 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 84.1 mt -65.14 -43.86 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.246 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.91 -42.98 91.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.62 -42.79 97.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.18 175.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -65.7 -40.28 92.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.26 -39.27 86.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.29 90.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 176.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -66.11 -42.34 89.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 79.5 mt -60.29 -51.64 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 51.4 t -64.11 -43.79 97.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.188 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -58.61 -43.86 89.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.28 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.82 -44.53 96.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.204 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.75 -45.21 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.261 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -55.04 -44.14 74.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 177.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.18 -46.17 88.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.267 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.08 -45.52 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.255 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.93 -47.51 93.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.21 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.06 -38.79 91.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -64.02 -41.22 97.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.264 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.84 -39.33 94.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.187 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.02 86.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.152 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.71 -39.46 93.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.104 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.16 -42.71 97.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.219 175.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 45.8 t -58.83 -43.99 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -61.32 -42.92 99.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.175 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -63.68 -43.46 96.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.193 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.32 -37.82 87.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -57.99 -48.56 79.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 174.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.97 86.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 69.1 mt -60.12 -44.09 94.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.242 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.8 -45.57 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.72 -40.62 76.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.23 89.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.242 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.93 -42.72 99.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.242 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -61.17 -35.8 78.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.26 -58.96 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.197 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 pt -81.24 -12.99 12.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -172.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.61 18.13 48.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.45 132.42 46.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -178.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.8 -13.69 63.58 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 60.9 p -82.87 169.24 16.29 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.368 0.604 . . . . 0.0 111.045 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -85.59 -24.19 27.28 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.216 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 33.5 pt -60.87 -14.7 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.228 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.08 -36.31 77.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.226 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.5 -36.34 83.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 -172.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.22 -42.6 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.235 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 65.3 mtm -63.64 -41.07 98.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.277 -173.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.68 -37.22 85.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.215 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.1 -46.64 70.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 175.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.19 -38.16 88.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 88' ' ' LEU . . . . . 0.483 ' C ' HD23 ' C' ' 88' ' ' LEU . 8.8 tt -59.22 -50.25 74.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.12 -44.69 94.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.27 -39.13 75.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 55.3 tp -58.92 -50.33 74.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.277 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.88 -45.89 71.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -60.17 -38.75 84.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 -177.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 53.4 p -68.13 -16.04 63.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -175.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 95' ' ' LEU . . . . . 0.43 ' C ' HD23 ' C' ' 95' ' ' LEU . 10.3 tt -51.16 -41.03 59.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 -179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -79.99 10.13 4.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.24 -169.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -126.22 -1.68 7.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.239 172.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.98 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -172.242 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.797 0.332 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -57.11 -41.54 79.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.257 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.01 -43.01 99.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.244 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.45 -49.41 77.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.182 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -60.75 -39.08 87.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.23 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -62.39 -39.7 94.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 mt -74.26 -26.6 60.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.8 -40.1 94.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.225 174.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -65.41 -42.19 92.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.0 -43.21 86.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.226 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -54.71 -49.48 70.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.198 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -53.65 -45.93 70.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.275 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.6 -43.46 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -56.58 -49.36 75.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.17 -40.79 86.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -64.9 -39.81 94.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.35 -49.92 75.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.273 176.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.68 -41.37 98.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -175.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.14 -41.27 81.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.234 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -136.61 79.18 41.52 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.214 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -54.51 134.58 62.47 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.724 1.616 . . . . 0.0 111.239 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.8 p -164.94 156.83 15.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.211 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.33 -38.24 76.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.69 -52.53 64.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.86 -33.21 75.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.297 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.6 mt -63.11 -49.65 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.7 t -64.83 -42.63 95.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.228 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -65.09 -39.16 92.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.92 92.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.76 -46.83 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.7 ttp85 -52.42 -52.39 54.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.314 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.12 85.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 82.3 mt -63.55 -46.91 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.56 -46.41 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -63.96 -41.07 97.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -67.96 -35.2 77.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.289 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -59.89 -41.64 92.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 176.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.08 98.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -61.46 -40.05 93.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.211 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 90.1 mt -62.33 -47.67 91.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.63 -41.39 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -64.68 -39.25 93.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.65 98.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 173.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.42 -44.86 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.22 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -49.35 -56.5 9.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.237 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.4 93.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.204 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 87.9 mt -59.32 -46.54 92.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.4 t -62.21 -42.01 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.69 -40.44 92.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.255 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.45 -42.63 95.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.37 -38.92 85.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.14 90.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.132 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -64.08 -38.57 91.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.26 -41.96 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.16 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.3 t -59.37 -46.39 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.194 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.54 -42.04 95.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -61.61 -38.51 87.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.181 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -61.96 -38.26 87.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.89 -37.71 88.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.22 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.03 87.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.485 HG13 HE22 ' C' ' 87' ' ' GLN . 82.4 mt -59.7 -44.08 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 175.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.92 -47.93 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.35 -43.09 96.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.81 93.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.254 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.5 tp -64.51 -47.98 76.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.54 -33.98 74.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.179 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.72 -59.04 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.4 pt -73.56 -22.02 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -175.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.3 11.43 67.17 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.57 133.37 35.0 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -175.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.429 ' H ' HD11 ' A' ' 81' ' ' LEU . . . 95.91 -14.75 64.22 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 80' ' ' ILE . 56.9 m -86.31 142.93 28.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 111.205 -178.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.47 -32.27 26.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.176 -174.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.42 ' H ' HG22 ' A' ' 78' ' ' THR . 50.4 pt -50.23 -23.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 -172.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.429 HD11 ' H ' ' A' ' 77' ' ' GLY . 91.9 mt -54.68 -36.49 64.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.273 -177.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -62.48 -34.2 76.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -101.1 -35.39 9.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 -171.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 79.5 mmm -66.1 -32.86 74.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.252 -177.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.0 -35.65 80.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.55 -42.0 98.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.488 HE22 HG13 ' B' ' 67' ' ' ILE . 46.3 tt0 -60.23 -46.9 88.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.207 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 tt -52.39 -45.86 66.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.38 -38.11 88.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.199 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.11 -38.6 85.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.251 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.03 -40.38 96.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -57.32 -45.79 83.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 174.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 175.917 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.866 0.365 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -57.12 -41.5 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.266 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.09 -43.06 99.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -59.37 -49.35 78.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.245 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -60.83 -39.09 87.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -62.44 -39.61 93.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.273 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 63.5 mt -74.32 -26.61 60.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.86 -40.02 93.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 174.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -65.49 -42.07 92.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.141 172.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 57.3 tp -58.11 -43.11 87.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.182 176.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -54.77 -49.51 70.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -53.65 -45.91 70.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.273 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.63 -43.42 98.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.8 tp -56.65 -49.24 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.3 -40.67 86.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.0 -39.7 93.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.39 -49.96 75.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.275 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.64 -41.42 98.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 -175.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.17 -41.18 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.252 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -136.68 79.19 41.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.48 134.56 62.28 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.657 1.572 . . . . 0.0 111.261 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 93.9 p -164.92 156.91 15.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.199 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.33 -38.31 76.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.69 -52.48 64.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.92 -33.26 75.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.234 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.02 -49.7 82.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 177.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 63.2 t -64.86 -42.62 95.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -65.08 -39.21 92.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.89 92.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.85 -46.76 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -52.49 -52.38 54.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.266 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.11 86.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 82.7 mt -63.48 -46.9 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.23 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -58.69 -46.26 90.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.199 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -64.01 -41.09 97.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.207 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -67.99 -35.24 78.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.83 -41.64 91.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 176.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.1 98.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.193 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -61.47 -39.97 92.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.238 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 89.9 mt -62.43 -47.64 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.64 -41.39 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.243 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.62 -39.25 93.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.248 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.59 98.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 173.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 86.1 mt -61.39 -44.9 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 176.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -49.38 -56.43 9.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.5 -44.45 93.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -177.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.28 -46.58 92.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 43.9 t -62.3 -41.87 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.68 -40.59 92.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 176.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.42 -42.56 95.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.4 -38.94 85.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.229 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.22 90.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.14 176.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -64.01 -38.67 91.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.21 -41.93 94.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 50.2 t -59.37 -46.4 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.54 -42.1 95.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 174.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -61.48 -38.64 88.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.191 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -62.01 -38.13 87.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.9 -37.74 88.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.273 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.05 87.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.488 HG13 HE22 ' A' ' 87' ' ' GLN . 82.5 mt -59.67 -44.11 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 175.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.9 -47.86 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.42 -43.13 97.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.85 94.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.279 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 66.8 tp -64.54 -47.92 76.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.193 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.5 -34.12 74.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.67 -59.03 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.228 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 pt -73.54 -21.96 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 -175.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.41 11.47 66.95 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.61 133.36 35.17 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . 0.431 ' H ' HD11 ' B' ' 81' ' ' LEU . . . 95.86 -14.61 64.46 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.414 HG22 ' H ' ' B' ' 80' ' ' ILE . 56.3 m -86.38 142.8 28.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.759 0.314 . . . . 0.0 111.218 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.32 -32.36 25.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.233 -174.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.414 ' H ' HG22 ' B' ' 78' ' ' THR . 50.5 pt -50.14 -23.61 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.219 -172.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.431 HD11 ' H ' ' B' ' 77' ' ' GLY . 91.9 mt -54.6 -36.55 64.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.228 -177.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.49 -34.22 76.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -174.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -101.15 -35.43 9.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -171.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 79.5 mmm -66.06 -32.89 74.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.08 -35.54 80.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 176.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.61 -41.93 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.178 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . 0.475 HE22 HG13 ' C' ' 67' ' ' ILE . 46.3 tt0 -60.22 -46.85 88.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 177.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.401 ' C ' HD23 ' B' ' 88' ' ' LEU . 9.7 tt -52.46 -45.82 66.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.35 -38.23 88.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.19 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.95 -38.65 86.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.264 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.05 -40.43 96.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.191 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -57.24 -45.84 83.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 175.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.821 0.343 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -57.25 -41.47 79.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.243 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.08 -43.06 99.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.38 -49.39 78.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.268 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -60.74 -39.1 87.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.247 -175.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 64.0 m -62.43 -39.66 94.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.236 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 mt -74.29 -26.62 60.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.82 -40.05 93.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.258 174.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -65.43 -42.17 92.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.222 172.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 57.2 tp -57.98 -43.13 86.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 176.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -54.74 -49.51 70.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -53.71 -45.9 70.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.61 -43.42 98.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 57.7 tp -56.57 -49.34 75.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.238 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.15 -40.79 86.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.248 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -64.89 -39.77 94.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.171 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.32 -49.94 75.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.263 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.69 -41.38 98.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 -175.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.19 -41.11 81.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.25 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -136.71 79.15 40.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.51 134.6 62.59 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.674 1.583 . . . . 0.0 111.279 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 94.9 p -164.95 156.89 15.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.21 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.35 -38.28 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.207 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.67 -52.47 65.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.208 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.94 -33.24 75.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.276 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.0 -49.71 82.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.219 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.79 -42.7 95.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -65.01 -39.17 93.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.261 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.89 92.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.82 -46.81 95.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.182 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -52.44 -52.5 53.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.232 178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.41 -40.09 85.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.254 -178.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.5 -46.96 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -58.6 -46.33 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -64.02 -41.04 97.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -68.04 -35.16 77.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.89 -41.61 92.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 176.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.13 98.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.37 -40.1 93.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.254 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.22 -47.69 91.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.274 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.7 -41.29 91.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.292 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -64.67 -39.28 93.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.189 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.52 98.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.191 173.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.52 -44.85 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -49.4 -56.39 9.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.47 93.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 87.9 mt -59.32 -46.56 92.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 44.5 t -62.23 -42.04 93.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.55 -40.53 91.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.259 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.48 -42.52 95.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 174.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.41 -38.96 85.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.194 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.19 90.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -64.01 -38.56 91.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.33 -41.86 94.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.216 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 50.3 t -59.38 -46.45 92.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 176.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.46 -42.11 95.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 174.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -61.54 -38.56 87.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.185 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -62.04 -38.15 87.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.9 -37.74 88.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.221 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.05 87.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . 0.475 HG13 HE22 ' B' ' 87' ' ' GLN . 82.4 mt -59.69 -44.1 92.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.235 175.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.92 -47.87 91.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.46 -42.98 97.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.241 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.78 93.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.239 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 66.5 tp -64.5 -47.92 77.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.237 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.53 -34.04 74.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.76 -58.9 6.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.284 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 34.6 pt -73.68 -21.93 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.196 -175.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.38 11.45 67.01 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.56 133.33 35.0 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . 0.425 ' H ' HD11 ' C' ' 81' ' ' LEU . . . 95.91 -14.7 64.3 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.425 HG22 ' H ' ' C' ' 80' ' ' ILE . 56.3 m -86.36 142.84 28.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 0.0 111.239 -178.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.39 -32.34 25.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.116 -174.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 80' ' ' ILE . . . . . 0.425 ' H ' HG22 ' C' ' 78' ' ' THR . 50.4 pt -50.2 -23.61 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.236 -172.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . 0.425 HD11 ' H ' ' C' ' 77' ' ' GLY . 91.8 mt -54.57 -36.54 64.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.254 -177.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.54 -34.14 76.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -174.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -101.17 -35.41 9.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 -171.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 79.5 mmm -66.03 -32.93 74.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.211 -177.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -66.96 -35.65 80.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.58 -41.92 98.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . 0.485 HE22 HG13 ' A' ' 67' ' ' ILE . 46.3 tt0 -60.28 -46.86 88.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 177.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 tt -52.41 -45.89 66.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.33 -38.19 88.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -67.0 -38.65 86.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.253 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.0 -40.44 96.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.253 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -57.22 -45.84 83.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 174.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 175.936 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.874 0.368 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.94 -34.63 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.83 -47.06 79.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.281 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.98 -41.51 95.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -61.44 -40.42 94.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.25 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.2 m -61.63 -39.38 91.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.19 -42.53 86.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.53 -35.68 81.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -63.04 -40.83 98.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 175.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.408 HD13 HD22 ' C' ' 43' ' ' ASN . 77.1 mt -61.71 -39.54 91.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -58.31 -51.41 69.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.2 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -55.34 -48.51 74.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.283 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.01 -43.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.7 -45.94 85.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.202 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.45 -38.91 85.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.262 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -65.42 -38.57 90.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.9 mt -62.26 -38.75 90.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.207 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.75 -38.04 86.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -77.07 -39.81 48.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.233 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -153.82 95.76 2.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.22 60.67 7.94 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.706 1.604 . . . . 0.0 111.212 -175.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.4 p -76.75 158.74 30.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.63 -36.53 74.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.221 175.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.44 -48.79 79.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.216 177.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -67.25 -35.41 79.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.179 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.4 mt -65.17 -49.09 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.59 -33.29 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.295 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.56 -36.19 78.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.211 173.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.73 90.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.42 -46.43 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.208 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -50.83 -53.95 27.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.72 83.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.24 -46.25 87.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.55 -43.85 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.03 -40.32 97.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.265 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -63.11 -40.94 99.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.25 -36.22 79.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.0 -41.51 87.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.252 175.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.85 -37.77 79.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.183 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.95 -50.96 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.2 -45.44 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.242 -175.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -66.33 -39.69 89.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.17 97.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.212 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.51 -47.1 93.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.203 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -57.77 -42.67 84.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.26 95.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.248 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.405 HG21 ' CG2' ' C' ' 53' ' ' ILE . 96.3 mt -62.27 -40.46 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.92 -48.0 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.207 175.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.15 -42.11 89.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.18 -41.48 98.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.278 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -64.58 -38.09 89.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.268 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.73 89.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 175.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -64.92 -42.51 94.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.85 -50.24 81.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.237 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.88 -43.88 99.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.211 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -63.97 -39.13 93.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.32 -37.44 85.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.18 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -59.67 -37.91 80.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.235 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.63 -42.35 99.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.32 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.62 87.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 177.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.96 -44.12 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.61 -40.22 88.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.189 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.58 -39.73 85.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 175.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.47 -37.89 87.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 174.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.27 -49.97 74.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 172.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.31 -33.53 69.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 -177.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.27 -32.21 69.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.3 pt -117.32 -9.88 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.2 -172.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.97 1.72 71.09 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.74 142.35 48.14 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.1 -12.7 68.9 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 80' ' ' ILE . 88.3 m -110.66 136.22 50.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.347 . . . . 0.0 111.209 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.8 -27.18 16.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.219 -170.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.429 ' H ' HG22 ' A' ' 78' ' ' THR . 11.0 tp -54.07 -23.47 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 -178.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.461 ' C ' HD12 ' A' ' 81' ' ' LEU . 3.7 pp -59.41 -24.32 63.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 -175.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -73.05 -40.08 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.173 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.29 -34.53 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.212 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.46 -44.11 89.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.01 -38.49 91.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -61.68 -40.2 94.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -61.79 -36.6 81.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.26 -40.87 91.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.245 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.82 -41.19 95.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -62.22 -41.73 98.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.33 -39.78 92.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.2 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.36 -44.91 84.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 179.035 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.789 0.328 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.94 -34.66 76.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.147 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.78 -47.08 79.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.225 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -65.06 -41.41 95.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -61.39 -40.5 94.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.281 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 72.5 m -61.61 -39.44 91.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.19 -42.49 86.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.235 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.48 -35.72 81.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -63.0 -40.87 99.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 175.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.77 -39.5 91.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -58.29 -51.39 69.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.214 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -55.31 -48.54 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.306 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.99 -43.3 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 55.5 tp -57.79 -45.9 85.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.38 -38.97 85.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.276 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -65.41 -38.57 90.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 176.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 mt -62.29 -38.69 90.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.9 -37.97 86.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -77.03 -39.85 48.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -153.8 95.84 2.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -176.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -80.25 60.64 7.92 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.785 1.657 . . . . 0.0 111.194 -175.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 94.4 p -76.77 158.74 30.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.56 -36.58 74.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.273 175.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.41 -48.84 79.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -67.23 -35.35 79.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.247 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.12 -49.04 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.223 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.68 -33.22 52.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.263 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.6 -36.18 78.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 173.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.4 -45.63 90.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.243 174.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.42 -46.45 95.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -50.81 -53.91 28.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 174.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.74 84.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.2 mt -66.22 -46.28 87.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.51 -43.83 98.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.15 -40.27 97.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -63.07 -41.05 99.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 174.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.22 -36.24 79.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.227 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.62 87.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.252 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.81 -37.8 79.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.214 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.92 -50.95 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.25 -45.45 98.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 -175.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -66.17 -39.76 90.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.03 97.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.58 -47.11 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -57.8 -42.59 84.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.189 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.31 95.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . 0.402 HG21 ' CG2' ' A' ' 53' ' ' ILE . 96.4 mt -62.25 -40.5 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.1 t -57.78 -48.07 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.248 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.12 -42.15 89.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.14 -41.52 98.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -64.57 -38.07 89.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.265 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.53 -43.76 89.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.188 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -64.9 -42.54 94.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 176.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 78.7 mt -60.9 -50.21 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 71.3 t -62.8 -43.96 99.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -63.92 -39.14 93.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.217 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -66.21 -37.47 85.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.76 -37.88 80.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.63 -42.4 99.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.311 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.66 87.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.9 -44.09 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.221 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.65 -40.21 88.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.226 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.54 -39.78 85.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.86 87.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.235 174.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.2 -50.01 74.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.234 172.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.28 -33.59 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 -177.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.18 -32.21 69.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 47.6 pt -117.34 -9.85 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.195 -172.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.02 1.72 70.95 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.7 142.42 48.2 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -176.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.04 -12.64 69.03 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.431 HG22 ' H ' ' B' ' 80' ' ' ILE . 88.2 m -110.69 136.21 50.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 111.222 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.77 -27.28 17.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.159 -170.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.431 ' H ' HG22 ' B' ' 78' ' ' THR . 11.0 tp -54.05 -23.45 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.47 ' C ' HD12 ' B' ' 81' ' ' LEU . 3.7 pp -59.45 -24.28 63.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.188 -175.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -73.13 -40.07 65.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.22 -34.68 75.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.36 -44.11 88.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 176.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.98 -38.55 91.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.198 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -61.69 -40.08 93.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -61.84 -36.59 81.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 89.8 mt -60.29 -40.9 92.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.24 177.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.76 -41.22 96.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.17 -41.81 98.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 92.0 mt -65.28 -39.8 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.214 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.28 -44.91 84.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.28 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 179.058 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.842 0.353 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.92 -34.61 76.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 tp -64.87 -47.04 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.21 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.94 -41.52 95.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -61.42 -40.44 94.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.245 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 72.3 m -61.65 -39.42 91.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 57.2 tp -58.17 -42.51 86.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 177.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.52 -35.68 81.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -63.07 -40.77 98.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 77.2 mt -61.76 -39.53 91.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -58.17 -51.49 69.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.236 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -55.33 -48.62 73.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.225 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.92 -43.21 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 55.4 tp -57.83 -45.93 85.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.37 -39.01 85.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.234 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -65.36 -38.6 90.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 47.8 mt -62.23 -38.76 90.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.188 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.79 -37.92 86.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -77.19 -39.78 47.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -153.82 95.76 2.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -176.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -80.22 60.63 7.92 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.739 1.626 . . . . 0.0 111.19 -175.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -76.79 158.82 30.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.209 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.55 -36.63 74.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.229 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.42 -48.86 79.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -67.26 -35.27 79.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.25 -49.07 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.64 -33.29 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.221 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.5 -36.23 78.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 173.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.58 91.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.264 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 93.0 mt -60.44 -46.48 95.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -50.75 -53.89 27.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.65 84.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.24 -46.36 87.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.44 -43.81 98.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.265 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.14 -40.25 97.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.188 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -63.14 -41.02 99.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 174.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' ASN . . . . . 0.408 HD22 HD13 ' A' ' 16' ' ' LEU . 91.6 m-20 -61.22 -36.27 79.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.97 -41.54 87.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.81 -37.82 79.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.179 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 74.5 mt -61.91 -50.97 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.2 -45.48 98.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 -175.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -66.24 -39.72 89.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.06 97.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.49 -47.14 92.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -57.85 -42.59 84.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.38 95.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.174 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.405 ' CG2' HG21 ' A' ' 53' ' ' ILE . 96.3 mt -62.16 -40.49 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.265 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.6 t -57.82 -48.11 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 175.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -59.08 -42.04 89.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.291 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.21 -41.59 98.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.22 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -64.46 -38.11 89.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.229 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.69 89.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 175.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -64.92 -42.45 94.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.278 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 79.0 mt -60.94 -50.18 81.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.91 -43.92 99.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -63.85 -39.15 93.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.221 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.33 -37.4 85.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.73 -37.84 80.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.249 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.68 -42.4 99.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.261 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.21 -38.65 87.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.95 -44.11 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 92.9 mt -64.66 -40.14 88.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.63 -39.65 85.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.205 175.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.91 87.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 174.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.22 -49.99 74.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.187 172.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.24 -33.54 69.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.271 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.29 -32.16 69.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 47.4 pt -117.38 -9.89 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.207 -172.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.99 1.74 71.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.75 142.39 48.16 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -176.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.1 -12.67 68.97 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.426 HG22 ' H ' ' C' ' 80' ' ' ILE . 87.9 m -110.72 136.22 50.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 111.188 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.75 -27.33 17.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -170.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 80' ' ' ILE . . . . . 0.426 ' H ' HG22 ' C' ' 78' ' ' THR . 11.0 tp -54.03 -23.36 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -177.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . 0.461 HD12 ' C ' ' C' ' 81' ' ' LEU . 3.7 pp -59.49 -24.33 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -175.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -73.07 -39.96 65.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -69.3 -34.61 74.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.46 -44.09 89.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 176.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.0 -38.52 91.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -61.56 -40.19 93.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.231 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -61.81 -36.68 81.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.21 -40.84 91.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.275 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.84 -41.19 95.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.25 -41.73 98.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.32 -39.78 92.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.258 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.28 -44.93 84.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.312 175.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 179.016 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.784 0.326 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.11 -31.64 72.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.277 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.16 -41.13 86.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.264 175.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.92 -43.36 79.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -52.82 -43.17 65.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.249 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.419 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 69.0 m -56.32 -43.44 78.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 177.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.84 -38.76 92.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.17 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.43 -37.59 85.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HE ' ' HA ' ' A' ' 12' ' ' SER . 74.0 mtm180 -62.68 -41.35 99.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.229 175.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.61 -38.38 90.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.234 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -54.71 -52.33 62.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -57.01 -44.04 82.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.246 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.0 mt -59.68 -44.45 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.237 178.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.82 -42.43 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.158 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.35 -41.55 98.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.234 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.18 -42.42 93.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 175.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.51 -49.32 75.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.249 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.61 -43.1 99.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.52 -41.73 96.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -137.98 80.29 30.4 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -57.96 141.73 96.24 Favored 'Trans proline' 0 C--N 1.327 -0.571 0 C-N-CA 121.667 1.578 . . . . 0.0 111.209 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.3 p -162.19 153.12 17.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.191 175.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.7 -37.6 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.236 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -59.22 -53.02 63.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -71.64 -31.56 66.98 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.049 -174.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.8 -48.77 86.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.778 0.323 . . . . 0.0 111.197 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.62 -45.35 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.71 -41.33 98.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.29 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.12 99.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.87 -46.23 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.26 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.88 -45.92 89.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 175.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -41.43 84.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.21 -175.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -58.2 -45.68 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.291 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 80.7 t -66.61 -43.07 90.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.233 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.45 -35.13 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -79.17 -39.82 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.411 ' O ' HG12 ' A' ' 46' ' ' ILE . 90.6 m-20 -58.32 -34.37 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.83 -32.1 51.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.285 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -78.77 -36.31 43.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 -175.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 43' ' ' ASN . 4.7 pt -79.96 -28.88 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 -177.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.84 -39.3 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -63.17 -36.99 85.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 175.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.35 -31.72 72.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.181 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 92.4 mt -68.83 -48.22 71.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 171.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -63.25 -47.88 80.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 -175.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.8 -35.44 72.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 -174.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.9 mt -72.26 -36.66 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -176.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.23 -45.04 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 173.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.76 -40.35 97.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.249 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -58.24 -48.09 81.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.194 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.428 ' HA ' HD22 ' A' ' 57' ' ' ASN . 7.1 m120 -53.98 -47.23 71.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.1 -42.35 85.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -69.1 -38.84 79.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.53 -45.41 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.223 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.64 -45.54 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -63.12 -39.34 94.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.262 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.45 -42.41 92.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -60.48 -43.24 97.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -63.11 -42.4 99.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.246 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.24 89.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 92.4 mt -61.46 -46.48 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.232 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.89 -45.79 97.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.305 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.55 -39.1 82.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.213 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.52 -41.51 97.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.35 -39.08 93.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.72 -40.03 84.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 174.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.4 -37.34 80.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -177.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.5 tt -86.86 1.59 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.03 19.8 60.45 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.73 16.26 56.33 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.91 148.44 43.05 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -173.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 47.4 p -132.64 168.74 17.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.423 ' NZ ' ' OE2' ' A' ' 83' ' ' GLU . 66.1 tttm -54.16 -45.87 72.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 173.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.26 -46.68 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.4 mt -60.63 -42.5 97.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -177.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.86 -46.02 85.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.247 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.423 ' OE2' ' NZ ' ' A' ' 79' ' ' LYS . 97.0 mt-10 -61.35 -41.77 97.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.24 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 37.6 mmt -62.77 -43.03 99.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -57.0 -47.75 80.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 177.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.15 -40.87 86.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.162 -177.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.47 -41.63 88.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.44 -40.79 98.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.22 -50.0 73.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.61 -34.57 75.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.0 tp -49.2 -39.48 29.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -56.07 -28.39 57.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.231 -172.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.203 -176.89 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.804 0.335 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.1 -31.68 72.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.244 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -67.14 -41.14 86.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.283 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.97 -43.23 79.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.182 174.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -52.99 -43.05 66.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . 0.422 ' HA ' ' HE ' ' B' ' 15' ' ' ARG . 68.7 m -56.46 -43.37 79.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 177.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.8 -38.7 91.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.278 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.46 -37.62 85.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.422 ' HE ' ' HA ' ' B' ' 12' ' ' SER . 74.0 mtm180 -62.62 -41.39 98.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.255 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.63 -38.36 90.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.238 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -54.62 -52.45 62.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -56.89 -44.15 82.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 92.0 mt -59.75 -44.39 93.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.75 -42.52 97.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.19 -41.7 98.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.267 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.15 -42.41 93.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 175.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.0 tp -62.51 -49.4 75.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.183 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.51 -43.07 99.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.28 -174.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.63 -41.63 96.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.227 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -138.09 80.31 29.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -57.93 141.76 96.19 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.673 1.582 . . . . 0.0 111.181 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 86.2 p -162.26 153.14 17.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 175.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -37.62 73.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -59.2 -53.0 63.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -71.6 -31.55 67.04 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.066 -174.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.82 -48.86 86.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.814 0.34 . . . . 0.0 111.179 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.52 -45.41 97.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.58 -41.41 98.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.27 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.1 99.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.247 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.83 -46.28 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.247 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.84 -45.92 88.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.164 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.42 -41.41 84.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -175.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.16 -45.8 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.63 -43.03 90.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.44 -35.13 75.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.215 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -79.11 -39.9 32.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.198 177.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.409 ' O ' HG12 ' B' ' 46' ' ' ILE . 90.6 m-20 -58.35 -34.37 70.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 177.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.75 -32.19 51.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.256 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -78.79 -36.33 42.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.409 HG12 ' O ' ' B' ' 43' ' ' ASN . 4.7 pt -79.93 -28.85 12.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.274 -178.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.85 -39.29 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.196 175.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -63.1 -37.05 85.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -31.61 72.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.198 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 92.3 mt -68.84 -48.2 72.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -63.32 -47.82 80.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 -175.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.52 72.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 96.9 mt -72.2 -36.67 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -176.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.5 t -52.23 -45.0 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.231 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.7 -40.46 97.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 176.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -58.21 -48.08 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.256 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -53.96 -47.25 71.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.04 -42.47 85.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -68.96 -38.95 79.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 78.5 mt -62.45 -45.46 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.56 -45.55 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.231 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -63.13 -39.44 94.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.255 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.35 -42.5 92.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.166 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -60.48 -43.16 97.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -63.12 -42.45 99.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.233 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.24 89.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.47 -46.44 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.278 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.99 -45.79 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.195 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.61 -39.04 82.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.2 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.54 97.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 175.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.41 -39.02 93.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.77 -39.97 84.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.25 80.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 -177.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 15.4 tt -86.9 1.61 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.241 -176.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.03 19.77 60.5 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.71 16.23 56.39 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.94 148.44 43.0 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -173.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 47.5 p -132.65 168.69 17.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.356 . . . . 0.0 111.205 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -54.15 -45.81 72.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.215 173.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -46.56 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.65 -42.55 97.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.82 -46.04 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.38 -41.77 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.212 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 37.6 mmt -62.77 -43.09 99.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.165 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -56.87 -47.8 79.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.09 -40.89 87.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.46 -41.67 88.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.45 -40.74 97.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.225 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.21 -50.04 73.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.69 -34.42 75.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 tp -49.35 -39.43 31.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -55.95 -28.52 57.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -172.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 -176.844 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.811 0.339 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.09 -31.7 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.12 -41.17 86.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.294 175.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.96 -43.23 79.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 174.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -53.0 -43.05 66.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.421 ' HA ' ' HE ' ' C' ' 15' ' ' ARG . 68.7 m -56.41 -43.42 79.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 177.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.79 -38.78 92.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.37 -37.58 85.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.238 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . 0.421 ' HE ' ' HA ' ' C' ' 12' ' ' SER . 74.0 mtm180 -62.73 -41.37 99.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 175.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.59 -38.37 90.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -54.61 -52.49 62.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.229 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -56.81 -44.24 81.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 91.7 mt -59.7 -44.39 93.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.81 -42.39 97.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.34 -41.63 98.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.198 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.19 -42.35 93.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.59 -49.4 75.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -62.6 -43.03 99.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 -174.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.67 -41.61 95.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -138.01 80.29 30.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 -178.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -57.94 141.78 96.23 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.662 1.575 . . . . 0.0 111.179 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -162.19 153.16 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.77 -37.54 73.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -59.33 -52.94 63.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -71.67 -31.54 66.92 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.038 -174.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.81 -48.76 86.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.786 0.327 . . . . 0.0 111.262 177.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.57 -45.37 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.263 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.68 -41.31 98.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.268 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.11 99.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.205 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.98 -46.19 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.232 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.78 -46.02 88.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.42 -41.24 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.296 -175.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 78.6 mt -58.35 -45.72 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.214 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 80.2 t -66.66 -43.03 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.51 -35.18 75.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -79.04 -39.82 32.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -58.46 -34.32 70.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.87 -32.19 52.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -78.67 -36.34 43.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.24 -175.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 pt -80.0 -28.81 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.279 -177.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.88 -39.23 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.207 175.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -63.1 -37.07 85.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 175.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.43 -31.7 72.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 174.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 92.1 mt -68.86 -48.15 72.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 171.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -63.28 -47.89 80.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -175.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.7 -35.53 72.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 96.9 mt -72.21 -36.71 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 -176.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.12 -45.1 41.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.76 -40.37 97.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 176.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.25 -48.04 81.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' ASN . . . . . 0.485 HD22 ' HA ' ' C' ' 57' ' ' ASN . 7.1 m120 -54.01 -47.21 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.239 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.36 85.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -69.09 -38.92 79.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 78.8 mt -62.49 -45.34 99.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.262 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.67 -45.53 97.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -63.12 -39.44 94.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.299 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -65.35 -42.49 92.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -60.46 -43.2 97.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 178.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -63.16 -42.4 99.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.22 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.62 -41.29 90.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.41 -46.44 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.245 176.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.04 -45.68 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.261 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.67 -39.04 83.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.193 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.56 97.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 175.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.36 -39.0 93.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.245 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.72 -40.03 84.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 174.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.45 -37.21 80.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.268 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 15.4 tt -86.89 1.52 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.03 19.86 60.35 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.78 16.3 56.22 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.92 148.41 42.98 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -173.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 47.5 p -132.63 168.74 17.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 111.238 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . 0.412 ' NZ ' ' OE2' ' C' ' 83' ' ' GLU . 66.1 tttm -54.1 -45.97 71.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 173.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.17 -46.66 95.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.219 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.62 -42.53 97.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.87 -46.02 85.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.229 176.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . 0.412 ' OE2' ' NZ ' ' C' ' 79' ' ' LYS . 97.1 mt-10 -61.35 -41.84 97.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.194 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 37.6 mmt -62.74 -43.01 99.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -57.0 -47.75 80.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.1 -40.84 87.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.225 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.5 -41.63 88.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.215 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.49 -40.74 97.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.237 178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.28 -50.02 73.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 176.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.51 -34.47 75.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.26 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 tp -49.42 -39.32 32.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.219 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -56.06 -28.5 57.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -176.895 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.8 0.333 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.75 -38.51 81.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.11 -39.8 94.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.248 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -62.21 -39.67 93.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -64.07 -40.33 96.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.154 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -63.34 -38.29 90.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.07 -39.15 88.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.279 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.96 -36.62 84.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -66.24 -41.94 89.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.15 -39.65 93.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -60.78 -49.93 75.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 174.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -52.08 -50.01 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.195 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.12 -45.54 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.271 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.3 -46.69 82.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.211 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -59.63 -43.43 93.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.17 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.2 -37.79 86.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.249 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.6 -50.17 73.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.278 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.26 -41.05 94.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.231 -176.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.19 -39.19 92.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.176 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -146.92 84.95 7.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -55.25 136.16 72.2 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.785 1.657 . . . . 0.0 111.161 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.0 p -161.78 155.51 21.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.57 -38.23 77.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.215 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.08 -51.74 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.228 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.9 -34.5 76.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 -176.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.52 -48.35 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.268 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.24 -45.17 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -66.5 -35.64 80.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.25 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.7 -49.66 76.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.252 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.77 -44.96 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -50.22 -56.15 12.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 173.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.85 84.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -176.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.37 -47.04 91.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.51 -44.49 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.76 -40.82 98.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.201 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -63.16 -44.95 94.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -58.86 -41.11 86.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.72 -41.09 85.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.04 -39.91 90.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 178.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 91.8 mt -62.44 -47.76 91.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.214 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.0 -45.71 98.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -65.93 -35.71 81.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.87 -53.07 61.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 pt -70.97 -28.03 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 -175.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -62.05 -48.33 80.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.227 175.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.6 96.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.08 -44.26 94.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.207 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.06 -43.7 93.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -62.01 -41.26 97.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.251 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.95 -39.87 95.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 175.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.16 -37.82 88.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.08 80.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.27 -39.3 94.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.064 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.03 -41.13 91.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 175.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.75 -45.65 94.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.7 -43.83 90.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.285 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -57.56 -46.8 83.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.223 174.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.41 -39.44 83.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -59.09 -47.81 83.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 175.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.27 80.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.278 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.7 mt -60.13 -44.93 96.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.61 -44.3 99.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.56 -40.85 96.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.221 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.45 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.0 mt -59.28 -42.99 92.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.231 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -63.21 -36.89 85.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.52 91.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.7 pt -106.52 -23.14 4.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 -169.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.44 22.96 4.1 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -174.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.64 146.31 38.23 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.6 -19.36 52.81 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 88.5 m -62.06 130.31 44.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 111.231 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.88 -42.86 72.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.23 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.3 mm -57.71 -41.54 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.231 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.5 -36.61 79.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.261 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -61.1 -36.06 78.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.32 -36.31 58.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 82.9 mtp -61.06 -29.07 69.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.14 -25.99 62.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.259 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -75.31 -44.09 47.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.155 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.2 -30.65 71.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.199 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.523 ' O ' HD23 ' A' ' 88' ' ' LEU . 10.3 tt -57.83 -29.11 64.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.249 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.08 -45.28 92.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.88 -35.94 72.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.177 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.03 -51.54 69.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.285 175.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.86 -37.66 77.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 -176.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 C--N 1.331 -0.22 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -175.512 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.868 0.366 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.77 -38.58 82.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.06 -39.85 94.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -62.18 -39.76 93.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -63.96 -40.34 96.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.976 0.417 . . . . 0.0 111.224 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -63.37 -38.27 90.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.09 -39.23 89.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.208 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.93 -36.55 84.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -66.31 -41.93 88.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.2 175.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.17 -39.62 93.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -60.77 -49.91 75.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.207 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -52.11 -50.02 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.03 -45.61 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.279 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 56.7 tp -57.31 -46.63 83.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 -177.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.73 -43.32 94.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.229 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.26 -37.78 86.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.223 176.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.63 -50.21 73.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.298 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.14 -41.14 95.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.263 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.07 -39.32 93.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.188 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -146.83 84.91 7.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.185 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -55.24 136.15 72.16 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.679 1.586 . . . . 0.0 111.204 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 95.6 p -161.75 155.59 21.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.2 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.54 -38.34 77.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.94 -51.86 67.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.91 -34.43 76.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -63.56 -48.4 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.234 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.11 -45.3 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.43 -35.59 80.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.82 -49.64 76.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.21 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.75 -44.99 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -50.23 -56.17 12.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.97 84.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.0 mt -64.29 -47.11 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.191 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.43 -44.5 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.243 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.76 -40.85 98.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.201 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -63.09 -44.96 94.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -58.77 -41.25 86.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.64 -41.11 85.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.216 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -66.11 -39.83 90.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.49 -47.79 91.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.158 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.01 -45.59 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.202 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -66.05 -35.7 81.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.09 61.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 pt -71.04 -27.88 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.216 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -62.18 -48.27 80.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.238 175.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.66 96.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 176.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.09 -44.3 94.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.07 -43.7 93.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.204 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -61.89 -41.37 97.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.312 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.84 -39.81 95.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.286 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.31 -37.7 88.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.04 -39.06 80.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.231 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.3 -39.25 94.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.95 -41.12 91.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.73 -45.65 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.22 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -58.68 -43.85 90.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.273 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -57.56 -46.82 83.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 174.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -59.39 -39.5 83.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -58.96 -47.79 83.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.271 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.19 81.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.219 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 67.4 mt -60.12 -44.96 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.66 -44.23 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.175 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.54 -40.82 96.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.236 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.49 -42.47 98.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 52.3 mt -59.23 -43.05 92.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -63.19 -36.88 85.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.83 -38.55 91.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.227 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 39.2 pt -106.43 -23.24 4.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 -169.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.38 22.95 4.11 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.53 146.29 37.85 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -175.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.5 -19.27 53.28 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 88.7 m -62.12 130.28 44.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.795 0.331 . . . . 0.0 111.271 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.8 -43.03 72.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 42.1 mm -57.6 -41.58 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.19 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.48 -36.66 79.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.23 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.01 -36.15 78.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.3 -36.32 58.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 176.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 82.8 mtp -61.02 -29.05 69.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 178.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -58.18 -26.0 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.188 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -75.21 -44.2 47.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.219 174.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.16 -30.62 71.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.208 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.526 HD23 ' O ' ' B' ' 88' ' ' LEU . 10.3 tt -57.83 -29.12 64.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.303 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.07 -45.33 92.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.144 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.89 -35.93 72.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 56.5 tp -58.04 -51.48 69.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.93 -37.63 77.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 -175.457 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 . . . . . 0 CA--C 1.523 -0.087 0 CA-C-O 120.849 0.357 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.76 -38.55 82.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.09 -39.79 94.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -62.25 -39.66 93.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -64.14 -40.18 95.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.22 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -63.44 -38.25 90.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.08 -39.2 88.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.02 -36.49 84.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -66.26 -41.96 89.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.247 175.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.17 -39.7 93.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -60.76 -49.83 75.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -52.24 -49.93 63.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.05 -45.66 83.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.206 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.36 -46.57 83.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -177.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.72 -43.25 94.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.265 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.31 -37.76 86.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.193 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.72 -50.21 73.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.237 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.09 -41.17 95.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.1 -39.2 92.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -146.95 84.86 7.25 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -55.24 136.18 72.24 Favored 'Trans proline' 0 C--N 1.327 -0.57 0 C-N-CA 121.688 1.592 . . . . 0.0 111.193 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 95.4 p -161.83 155.6 21.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.58 -38.23 77.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.251 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.05 -51.81 68.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.162 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.89 -34.5 76.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 80.2 mt -63.53 -48.41 87.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.23 -45.11 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -66.52 -35.61 80.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.266 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.6 76.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.28 173.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.78 -45.02 98.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -50.18 -56.08 12.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.29 173.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.93 84.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 -176.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.37 -47.02 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.23 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.42 -44.6 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.68 -40.82 98.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.26 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -63.16 -44.97 93.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -58.72 -41.15 85.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.67 -41.19 85.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.21 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.02 -39.82 90.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 91.9 mt -62.45 -47.84 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.88 -45.68 98.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.265 -178.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.09 -35.66 81.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.09 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.88 -53.02 62.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.226 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 41.1 pt -71.06 -27.9 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -62.27 -48.21 80.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.164 175.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.63 96.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.0 -44.33 94.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.01 -43.78 93.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.203 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -61.92 -41.33 97.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.256 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.81 -39.95 95.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 175.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.16 -37.7 88.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.04 80.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.31 -39.28 94.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.87 -41.24 91.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.208 175.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 51.7 t -59.68 -45.63 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.7 -43.92 90.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.273 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -57.53 -46.85 83.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.241 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.29 -39.48 83.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.268 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -59.07 -47.72 84.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.247 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.09 80.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.367 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.23 -44.9 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.121 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.72 -44.17 99.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.198 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.57 -40.85 96.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.38 98.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 52.7 mt -59.25 -43.05 92.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.189 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -63.32 -36.78 84.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.52 91.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 39.4 pt -106.53 -23.12 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.173 -169.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.42 22.95 4.1 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.61 146.38 38.0 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.5 -19.37 52.88 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 88.8 m -62.07 130.4 45.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.84 0.352 . . . . 0.0 111.179 177.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.99 -42.92 73.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.141 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 42.3 mm -57.58 -41.6 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.233 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.45 -36.65 79.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.265 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.01 -36.14 78.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.28 -36.38 58.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 176.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 83.0 mtp -60.98 -29.07 69.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -58.18 -25.99 62.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -75.14 -44.26 47.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.12 -30.64 71.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 88' ' ' LEU . . . . . 0.505 ' O ' HD23 ' C' ' 88' ' ' LEU . 10.3 tt -57.88 -29.07 64.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.237 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.12 -45.29 92.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.79 -35.94 72.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.213 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.03 -51.57 69.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.223 175.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.81 -37.7 76.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.228 -176.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -175.495 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.774 0.321 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -58.69 -38.55 78.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.02 -40.97 99.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -61.79 -48.37 80.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.248 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -62.97 -38.45 91.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -62.37 -42.41 99.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.229 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.04 -39.55 92.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.183 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.66 -39.62 94.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.166 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -68.98 -38.0 79.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.223 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.38 -41.3 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.39 -49.81 76.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 173.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -53.42 -50.11 65.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.64 -45.15 89.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.52 -47.48 81.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.78 -42.3 93.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.24 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.38 -38.37 87.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.73 -49.97 74.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.221 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.31 -41.16 96.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.95 -42.33 76.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -138.11 80.63 28.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -54.28 135.49 65.27 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.736 1.624 . . . . 0.0 111.2 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.1 p -163.17 156.19 19.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.47 -38.4 77.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.199 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.09 -52.5 65.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -67.06 -34.1 76.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.277 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -63.61 -48.97 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.1 t -64.34 -44.13 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.64 -37.94 89.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.08 -49.22 78.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 174.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.81 -44.68 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.179 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -53.1 -54.63 32.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.67 -37.54 81.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -64.47 -47.16 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.87 -43.65 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.19 -41.91 98.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -63.0 -43.61 98.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -59.07 -41.65 88.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.197 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.01 91.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.202 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -64.71 -41.52 95.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.64 -50.47 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.01 -42.71 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.181 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -59.26 -48.17 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.24 -41.48 93.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.0 mt -61.26 -41.23 88.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -47.82 -52.38 19.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.212 173.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.61 85.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.78 -44.29 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.91 -42.58 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.34 -41.22 96.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.05 -48.63 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 172.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.28 -38.28 83.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.211 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.16 95.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -64.59 -37.63 88.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.247 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.466 HG23 HD21 ' C' ' 64' ' ' ASN . 79.9 mt -62.21 -43.46 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.23 -44.36 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.1 -36.93 85.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.213 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.64 -43.93 95.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.205 175.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.458 HD21 HG23 ' B' ' 60' ' ' ILE . 93.6 m-20 -56.33 -45.89 80.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 176.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -55.62 -50.87 68.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.09 -39.49 82.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.93 -46.96 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.18 -42.96 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.225 -178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.64 -43.7 98.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 176.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.24 94.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.226 174.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.54 -49.66 76.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.32 -41.57 89.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.32 -36.18 72.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 -175.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 pt -101.91 5.85 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.209 -178.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.23 -118.47 1.99 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 -173.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.36 -177.25 45.21 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.63 126.6 9.96 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.1 p -134.29 162.29 32.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.153 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' NZ ' ' OE2' ' A' ' 83' ' ' GLU . 65.3 tttm -55.52 -44.85 77.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 172.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.44 -42.54 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.72 -49.12 66.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.235 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.11 -46.99 78.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' OE2' ' NZ ' ' A' ' 79' ' ' LYS . 97.8 mt-10 -62.28 -39.81 94.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 -178.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 72.3 mtm -64.17 -41.29 97.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.87 -33.44 75.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.235 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.63 -39.42 88.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 172.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -64.23 -35.57 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.7 mt -58.36 -39.36 79.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.26 177.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.52 -44.35 96.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.48 -42.08 96.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.47 -39.28 93.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -72.02 -45.58 60.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.096 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.736 0.303 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.64 -38.55 78.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 -175.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.96 -41.0 99.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.219 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' B' ' 14' ' ' GLU . 64.4 tttm -61.74 -48.42 80.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -62.99 -38.43 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -62.37 -42.41 99.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.211 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.03 -39.55 92.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.205 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' B' ' 10' ' ' LYS . 98.5 mt-10 -62.71 -39.56 94.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 177.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -68.98 -38.05 79.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 177.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 61.5 mt -62.3 -41.3 98.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.236 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.44 -49.82 76.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -53.33 -50.2 65.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.6 -45.11 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.25 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.54 -47.46 81.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 -177.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.72 -42.38 92.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.38 -38.41 87.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 175.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.67 -50.03 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.25 -41.18 97.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.96 -42.32 76.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -138.05 80.6 29.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -54.25 135.53 65.29 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.719 1.613 . . . . 0.0 111.196 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.3 p -163.21 156.2 18.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.247 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.44 -38.39 77.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.186 177.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.18 -52.46 65.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -67.04 -34.12 77.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.264 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.63 -49.0 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.6 t -64.27 -44.18 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.65 -37.92 89.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.02 -49.22 78.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 174.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.83 -44.7 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -53.05 -54.6 33.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.57 82.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.4 -47.21 90.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.201 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.86 -43.62 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.12 -41.97 98.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.199 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -63.0 -43.55 98.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.206 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -59.16 -41.55 88.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 178.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.01 92.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.207 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -64.73 -41.48 95.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.56 -50.53 80.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.98 -42.71 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -59.28 -48.14 82.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.46 93.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.19 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 67.8 mt -61.27 -41.22 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -47.76 -52.42 18.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 173.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.57 85.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.78 -44.29 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.195 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.89 -42.66 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.24 -41.26 96.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.192 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.03 -48.61 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 172.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.37 -38.24 83.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.203 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.31 -42.14 94.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.248 177.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -64.7 -37.56 87.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.243 177.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . 0.458 HG23 HD21 ' A' ' 64' ' ' ASN . 80.1 mt -62.23 -43.45 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.13 -44.43 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.08 -36.97 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.197 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.65 -43.84 95.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.236 175.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.457 HD21 HG23 ' C' ' 60' ' ' ILE . 93.6 m-20 -56.39 -45.89 80.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 176.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -55.6 -50.9 68.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 176.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.46 82.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.154 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.97 -46.97 92.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.11 -43.0 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.198 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.64 -43.63 98.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.22 -39.3 94.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.52 -49.64 76.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.36 -41.5 89.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.19 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.38 -36.2 73.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 -175.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 pt -101.88 5.87 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.229 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.23 -118.47 1.99 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -173.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.36 -177.23 45.2 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.62 126.54 9.94 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 60.7 p -134.28 162.29 32.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.356 . . . . 0.0 111.146 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . 0.434 ' NZ ' ' OE2' ' B' ' 83' ' ' GLU . 65.3 tttm -55.48 -44.82 76.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.227 172.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.48 -42.59 96.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 58.1 tp -52.7 -49.08 66.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.272 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.18 -46.98 79.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.434 ' OE2' ' NZ ' ' B' ' 79' ' ' LYS . 97.8 mt-10 -62.29 -39.79 94.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.235 -178.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 72.3 mtm -64.16 -41.21 97.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.91 -33.46 75.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.217 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.57 -39.45 88.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 172.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.2 -35.56 81.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.45 -39.34 79.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.51 -44.29 96.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.215 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.56 -42.06 95.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.46 -39.25 93.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.189 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -72.13 -45.49 60.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.094 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.749 0.309 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.65 -38.6 78.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -175.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.91 -41.02 99.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -61.81 -48.37 80.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.213 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -62.91 -38.48 91.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -62.39 -42.42 99.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.219 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.96 -39.6 92.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.226 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.6 -39.65 94.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.173 177.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -68.96 -38.12 79.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.3 -41.33 98.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.39 -49.82 76.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.23 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -53.4 -50.08 65.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.197 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.73 -45.09 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 58.1 tp -57.53 -47.43 82.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.207 -177.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.79 -42.35 93.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.4 -38.37 87.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.74 -50.03 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.25 -41.16 97.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.174 -175.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.96 -42.34 76.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -138.07 80.61 28.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -54.29 135.52 65.46 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.741 1.628 . . . . 0.0 111.208 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -163.2 156.18 19.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.43 -38.39 77.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.202 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.2 -52.41 65.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -67.07 -34.13 76.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.261 -176.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.62 -48.98 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.27 -44.18 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.215 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.68 -37.87 89.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.07 -49.22 78.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.82 -44.66 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -53.17 -54.55 34.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.59 82.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.37 -47.22 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.86 -43.64 96.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.17 -41.88 98.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -63.03 -43.59 98.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -59.1 -41.58 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.241 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.0 91.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.228 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -64.75 -41.53 95.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.55 -50.54 79.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.251 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 79.4 t -63.91 -42.76 96.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.218 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -59.23 -48.18 82.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.46 93.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 67.9 mt -61.19 -41.3 89.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -47.69 -52.43 18.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.258 173.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.66 -38.68 85.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 91.2 mt -64.73 -44.29 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.88 -42.65 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.27 -41.22 96.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.221 177.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.09 -48.61 79.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 172.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.33 -38.24 83.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.23 95.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.172 177.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -64.56 -37.59 88.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.264 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . 0.457 HG23 HD21 ' B' ' 64' ' ' ASN . 79.7 mt -62.29 -43.42 98.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 178.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.2 -44.36 98.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.09 -36.94 85.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.252 177.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.63 -43.91 95.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.218 175.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' ASN . . . . . 0.466 HD21 HG23 ' A' ' 60' ' ' ILE . 93.5 m-20 -56.35 -45.91 80.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 176.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -55.61 -50.91 68.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.01 -39.55 82.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.92 -46.97 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.14 -43.05 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.62 -43.64 98.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.29 94.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.227 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.49 -49.62 76.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.39 -41.51 89.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.34 -36.22 73.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 -175.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 pt -101.9 5.85 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.21 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.22 -118.4 1.99 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -173.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.43 -177.21 45.25 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.66 126.58 9.93 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 60.9 p -134.29 162.29 32.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.125 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' C' ' 83' ' ' GLU . 65.3 tttm -55.49 -44.83 76.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.27 172.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.47 -42.52 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.76 -49.09 66.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -56.11 -46.98 78.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' C' ' 79' ' ' LYS . 97.8 mt-10 -62.33 -39.75 94.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.208 -178.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 72.3 mtm -64.2 -41.25 97.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -178.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.88 -33.45 75.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.259 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.6 -39.49 88.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.17 172.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.16 -35.55 81.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.41 -39.35 79.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.212 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.56 -44.28 96.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.52 -42.06 96.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.5 -39.26 93.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -72.07 -45.5 60.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 -179.067 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.74 0.305 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -76.09 -9.37 58.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.219 -174.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.73 -11.93 52.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.203 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.48 ' NZ ' ' OE2' ' A' ' 14' ' ' GLU . 65.3 tttm -67.66 -49.97 60.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -170.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -58.27 -33.67 69.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -174.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.8 m -66.04 -40.3 90.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.99 -39.31 94.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.312 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.48 ' OE2' ' NZ ' ' A' ' 10' ' ' LYS . 99.0 mt-10 -62.66 -43.09 99.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.247 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.79 -40.5 92.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 176.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.0 -44.12 96.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.223 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -56.59 -48.58 77.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.224 176.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.8 -44.81 70.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.212 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.62 -44.41 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.81 -48.3 75.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.26 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.32 -41.67 89.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -64.38 -39.23 93.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.93 -50.09 74.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.186 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.33 -40.94 94.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 -175.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.12 -39.06 92.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -146.41 84.11 8.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -55.2 135.43 68.9 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.691 1.594 . . . . 0.0 111.196 -178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.5 p -162.48 156.85 21.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.172 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.17 -38.12 76.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.237 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.6 -52.51 65.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -67.22 -33.03 74.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.258 -175.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.83 -49.02 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.203 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.9 t -65.21 -43.24 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -64.79 -38.71 91.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.6 -48.21 81.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 174.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.54 -45.93 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.253 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -54.76 -51.3 66.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.181 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.21 89.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.244 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.409 HG23 HD21 ' C' ' 43' ' ' ASN . 69.7 mt -61.9 -43.24 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.93 -43.1 95.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.3 -39.0 88.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -65.25 -47.5 76.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -56.05 -42.57 76.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.46 77.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.19 -38.15 89.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.232 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.47 -47.86 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.7 t -62.14 -44.39 98.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.99 -40.6 89.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.214 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.6 94.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.5 mt -62.55 -42.99 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -59.52 -38.36 80.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.82 -54.72 23.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.3 pt -70.56 -28.9 36.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -167.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.28 -34.51 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.207 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -69.61 -36.37 76.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 173.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.83 -38.55 91.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.176 173.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.5 -40.9 93.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 176.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.5 -39.36 87.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.248 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.24 -38.43 90.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.186 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.1 mt -61.8 -43.74 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.3 t -60.59 -44.51 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.26 175.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -61.74 -40.02 93.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.01 -42.76 99.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.1 -40.76 94.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -59.62 -44.45 93.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.285 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.65 89.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.206 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.54 -46.76 95.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.87 -45.18 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.233 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.8 -41.44 67.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.13 97.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.183 174.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.75 -31.93 72.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -57.5 -27.46 62.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.94 -32.19 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.454 ' C ' HD12 ' A' ' 74' ' ' ILE . 2.9 pp -121.51 -3.31 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -175.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.46 -24.36 7.51 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.22 144.92 48.7 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -174.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.92 -13.31 66.3 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 54.7 p -123.02 173.8 7.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.214 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -59.38 -32.8 70.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 -169.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 17.3 tt -56.54 -25.32 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.56 -45.33 94.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.44 -37.83 88.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -176.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -65.46 -39.85 92.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.99 -36.59 80.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.38 -42.17 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.253 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -64.02 -39.62 94.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.218 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -63.97 -39.08 93.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.23 -40.56 90.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.206 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.16 -43.49 95.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -62.19 -40.87 97.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.18 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.0 mt -61.73 -46.33 90.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.76 -39.65 81.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 177.912 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.748 0.308 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -76.08 -9.4 58.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 -174.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.2 mt -85.77 -11.9 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 174.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.475 ' NZ ' ' OE2' ' B' ' 14' ' ' GLU . 65.3 tttm -67.71 -49.94 60.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.21 -170.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -58.18 -33.79 69.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -174.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 73.6 m -66.03 -40.21 90.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.06 -39.27 94.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.256 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.475 ' OE2' ' NZ ' ' B' ' 10' ' ' LYS . 99.0 mt-10 -62.71 -43.08 99.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.79 -40.47 91.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 176.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 46.8 tp -63.04 -44.07 96.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -56.56 -48.66 76.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.79 -44.69 70.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.267 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.66 -44.43 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 59.0 tp -55.79 -48.33 75.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.27 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.28 -41.72 89.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.183 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -64.28 -39.32 93.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.288 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.92 -50.07 74.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.196 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.41 -40.91 93.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.06 -39.08 92.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.253 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -146.43 84.15 7.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -55.22 135.43 68.9 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.647 1.565 . . . . 0.0 111.235 -178.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 94.1 p -162.43 156.89 21.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.27 -38.14 76.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.62 -52.43 65.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -67.33 -32.93 74.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.24 -175.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.86 -48.95 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 64.9 t -65.27 -43.26 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -64.77 -38.77 92.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.25 81.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.165 174.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.44 -45.95 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.268 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -54.84 -51.29 66.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.15 89.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.231 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.88 -43.27 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.9 -43.07 94.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.28 -39.03 88.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.213 176.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -65.22 -47.55 76.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 177.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.402 HD21 HG23 ' C' ' 39' ' ' ILE . 91.3 m-20 -56.02 -42.6 76.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.214 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.22 -49.43 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -65.18 -38.17 89.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.48 -47.82 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 50.0 t -62.17 -44.32 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.271 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.99 -40.64 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.55 94.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.211 175.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.61 -42.94 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.202 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -59.54 -38.32 80.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.213 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.81 -54.76 22.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 31.2 pt -70.42 -28.99 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 -167.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.23 -34.5 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.235 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -69.56 -36.47 76.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 173.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.71 -38.6 91.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.257 173.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.44 -40.85 92.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.3 87.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.314 175.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.24 -38.45 90.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.23 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 85.2 mt -61.84 -43.68 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 56.6 t -60.63 -44.5 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.19 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.73 -40.0 93.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.26 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.0 -42.81 99.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.08 -40.8 95.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -59.64 -44.38 93.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.306 175.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.61 89.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.63 -46.63 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.88 -45.15 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.278 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.78 -41.5 67.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 178.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.19 97.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.203 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.74 -31.94 72.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.181 -176.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -57.57 -27.45 62.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.2 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.458 ' C ' HD12 ' B' ' 74' ' ' ILE . 2.9 pp -121.48 -3.31 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -175.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.52 -24.35 7.48 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.18 144.86 48.68 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -174.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.92 -13.23 66.43 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 55.2 p -123.03 173.89 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.769 0.319 . . . . 0.0 111.231 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -59.43 -32.88 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.225 -169.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 17.3 tt -56.44 -25.35 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.256 -176.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.51 -45.37 94.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.22 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.44 -37.87 88.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 -176.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -65.34 -39.79 92.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.254 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.98 -36.66 80.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.36 -42.18 90.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -64.05 -39.65 94.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -63.88 -39.14 93.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.26 -40.6 90.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.97 -43.62 95.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 177.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.24 -40.82 97.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 61.5 mt -61.69 -46.31 90.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.82 -39.65 81.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.234 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 177.852 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.822 0.344 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -75.96 -9.53 58.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.253 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.65 -11.94 52.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.23 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' LYS . . . . . 0.487 ' NZ ' ' OE2' ' C' ' 14' ' ' GLU . 65.3 tttm -67.63 -50.01 60.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 -170.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -58.25 -33.69 69.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -174.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 73.5 m -66.11 -40.19 90.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.174 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.17 -39.2 93.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . 0.487 ' OE2' ' NZ ' ' C' ' 10' ' ' LYS . 99.0 mt-10 -62.68 -43.11 99.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.197 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.77 -40.57 92.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 176.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 46.9 tp -63.0 -44.11 96.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.213 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -56.6 -48.59 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.75 -44.82 70.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.258 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.53 -44.47 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.237 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.77 -48.33 75.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.272 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.32 -41.62 89.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -64.42 -39.2 93.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.252 176.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.0 -50.07 74.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.3 -40.94 94.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.196 -175.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.1 -39.04 92.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.263 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -146.46 84.16 7.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -55.21 135.33 68.47 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.745 1.63 . . . . 0.0 111.191 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 93.8 p -162.43 156.88 21.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.25 -38.15 76.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.63 -52.47 65.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -67.28 -32.96 74.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.268 -175.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 79.2 mt -62.8 -48.99 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.3 -43.23 95.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -64.74 -38.69 91.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.224 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.77 -48.06 82.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 174.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.61 -45.86 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.23 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -54.91 -51.16 66.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.17 90.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.261 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . 0.402 HG23 HD21 ' B' ' 43' ' ' ASN . 69.8 mt -61.91 -43.23 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 72.8 t -60.88 -43.11 94.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.29 -39.06 89.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -65.15 -47.55 76.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.246 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' ASN . . . . . 0.409 HD21 HG23 ' A' ' 39' ' ' ILE . 91.4 m-20 -55.97 -42.55 76.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.285 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.4 77.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.232 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.21 -38.14 89.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.238 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.46 -47.79 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.269 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 50.0 t -62.19 -44.39 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.97 -40.61 89.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.173 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.53 94.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.25 175.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 84.5 mt -62.6 -42.93 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.221 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -59.58 -38.28 80.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.85 -54.71 23.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.201 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 31.1 pt -70.56 -28.9 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -167.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.31 -34.52 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.239 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -69.53 -36.43 76.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 173.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.81 -38.55 91.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.176 173.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.49 -40.9 92.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.25 87.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.266 175.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.27 -38.49 90.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.198 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 85.3 mt -61.73 -43.71 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.208 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.66 -44.39 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.268 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.85 -40.02 93.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -62.99 -42.75 99.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -61.09 -40.81 95.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 176.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -59.66 -44.43 93.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.234 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.66 89.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.52 -46.74 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.87 -45.2 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.262 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.73 -41.41 67.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.179 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.85 -42.24 97.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.69 -31.92 72.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -57.61 -27.4 62.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.87 -32.26 70.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.206 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . 0.459 ' C ' HD12 ' C' ' 74' ' ' ILE . 2.9 pp -121.5 -3.31 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -175.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.51 -24.34 7.49 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.28 144.9 48.74 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -174.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.94 -13.36 66.22 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 55.6 p -122.99 173.88 7.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.752 0.311 . . . . 0.0 111.234 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -59.46 -32.71 70.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.22 -169.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 17.3 tt -56.61 -25.27 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.227 -176.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.55 -45.35 94.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.44 -37.9 89.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.215 -176.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -65.35 -39.86 92.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.94 -36.59 80.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.4 -42.23 91.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -64.03 -39.65 94.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.212 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.91 -39.18 93.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.14 -40.62 90.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.196 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.04 -43.57 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.24 -40.85 97.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 61.4 mt -61.64 -46.34 90.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.231 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.76 -39.7 81.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 177.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.77 0.319 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -66.3 -35.28 79.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.2 tp -55.43 -49.88 71.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.287 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.409 ' NZ ' ' OE2' ' A' ' 14' ' ' GLU . 65.5 tttm -54.57 -49.1 71.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.176 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -59.27 -41.78 89.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 -178.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -63.33 -41.52 98.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.23 -30.07 63.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.409 ' OE2' ' NZ ' ' A' ' 10' ' ' LYS . 97.1 mt-10 -62.18 -41.19 98.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 170.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -70.43 -34.59 72.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.225 175.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 tp -55.06 -45.15 75.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -59.95 -45.97 90.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.21 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.88 -45.13 86.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.255 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.12 -47.28 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.2 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.0 tp -54.44 -54.25 43.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 176.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.7 -37.91 80.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -173.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -67.84 -43.38 79.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.44 -29.22 63.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 -175.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -63.0 -19.41 64.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.276 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.53 -25.31 67.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -153.48 83.89 4.4 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -74.42 61.1 5.1 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.696 1.598 . . . . 0.0 111.233 -171.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -77.25 165.16 24.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.231 170.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.25 -39.31 66.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.84 -49.41 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.429 ' OE1' ' HA ' ' A' ' 31' ' ' GLN . 9.2 mm100 -70.16 -35.46 74.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.154 -175.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.3 mt -65.74 -51.32 63.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 -178.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.6 p -66.68 -27.46 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -62.79 -42.62 99.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.231 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.42 86.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.95 -44.66 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -52.46 -48.83 65.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.41 -40.04 81.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.207 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.3 mt -65.46 -46.64 89.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.88 -45.32 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.202 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.83 -37.92 87.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -69.25 -32.64 71.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.187 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -61.88 -36.6 81.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.7 -36.17 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -67.93 -33.91 75.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.198 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.93 -51.99 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.51 -29.85 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.239 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -63.4 -43.23 98.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.209 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.78 -49.05 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 173.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.0 mt -56.84 -44.52 82.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.235 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -50.34 -50.45 51.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.202 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.15 82.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.25 -43.36 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.267 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.91 -44.34 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -64.61 -39.21 93.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.22 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.91 -40.79 98.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 175.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.66 -38.0 83.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.214 176.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.64 87.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.215 176.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.68 -38.4 89.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.36 -42.58 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.192 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.37 -44.25 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 76.0 mm-40 -64.68 -36.88 85.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 177.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.39 -45.63 92.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 174.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.6 -41.6 86.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -57.43 -53.22 60.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 174.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.38 83.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.238 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.59 -47.81 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.253 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.5 -45.13 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -62.42 -46.35 88.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.265 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.03 93.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.0 tp -60.68 -46.99 88.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.167 -176.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.07 -43.0 99.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 174.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.34 -38.47 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.227 -172.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.509 ' C ' HD12 ' A' ' 74' ' ' ILE . 2.7 pp -96.35 3.53 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -174.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.6 -137.56 4.06 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.46 -165.97 10.88 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.53 143.56 35.69 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.525 HG22 ' H ' ' A' ' 80' ' ' ILE . 40.5 m -154.18 136.24 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 111.129 176.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.473 ' NZ ' ' OE2' ' A' ' 83' ' ' GLU . 64.9 tttm -52.07 -41.24 62.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.225 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.525 ' H ' HG22 ' A' ' 78' ' ' THR . 96.3 mt -61.15 -39.59 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.218 -176.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.1 mt -55.73 -46.1 77.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.74 -37.35 84.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.204 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.473 ' OE2' ' NZ ' ' A' ' 79' ' ' LYS . 98.7 mt-10 -63.54 -40.25 96.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 177.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 73.9 mtm -66.13 -37.01 84.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.21 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -61.36 -37.46 83.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -67.22 -52.85 36.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.231 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.99 -36.08 82.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.8 tp -56.2 -51.96 66.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.4 -45.13 94.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.185 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -64.04 -37.27 86.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.69 -46.64 87.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.231 172.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.438 ' NZ ' ' OE2' ' A' ' 62' ' ' GLU . 60.2 tttp -56.57 -34.34 67.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 -177.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.237 -178.857 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.789 0.328 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.27 -35.24 79.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 43.9 tp -55.52 -49.97 71.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 174.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.449 ' NZ ' ' OE2' ' B' ' 14' ' ' GLU . 65.5 tttm -54.45 -49.11 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -59.29 -41.8 89.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -63.38 -41.4 98.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.209 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 88.4 mt -73.26 -29.99 63.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.22 -176.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.449 ' OE2' ' NZ ' ' B' ' 10' ' ' LYS . 97.1 mt-10 -62.21 -41.16 98.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.181 170.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.4 mmt180 -70.51 -34.57 72.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 175.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 tp -55.14 -45.12 75.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -59.91 -46.05 90.59 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.79 -45.23 86.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.252 175.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.01 -47.37 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 tp -54.39 -54.28 42.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.67 -37.93 80.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -67.82 -43.37 79.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.43 -29.26 63.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -175.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -63.01 -19.4 64.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.234 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.61 -25.22 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.205 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -153.46 83.86 4.41 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 178.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -74.4 61.08 5.08 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.705 1.604 . . . . 0.0 111.242 -171.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 82.9 p -77.16 165.08 25.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.245 170.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.25 -39.19 66.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.31 178.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.85 -49.47 72.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' B' ' 31' ' ' GLN . 9.2 mm100 -70.06 -35.57 74.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.173 -175.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 84.4 mt -65.65 -51.31 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.271 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.68 -27.46 40.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -177.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -62.91 -42.58 99.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 175.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.4 86.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 175.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.96 -44.62 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -52.61 -48.7 66.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.48 -40.04 81.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.4 -46.69 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -58.86 -45.29 91.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.24 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.8 -37.98 87.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -69.22 -32.73 72.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -61.81 -36.55 81.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.275 176.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.13 78.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.199 173.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -67.92 -34.03 75.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.82 -51.99 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.58 -29.81 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.233 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -63.37 -43.28 98.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 174.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 -49.05 76.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.186 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 87.7 mt -56.92 -44.41 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -50.43 -50.45 52.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.222 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.04 82.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.236 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.33 -43.37 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.228 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 56.6 t -60.89 -44.31 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -64.68 -39.27 93.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.207 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.81 -40.75 98.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 175.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.8 -37.9 83.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.6 87.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.24 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.71 -38.37 89.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 177.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.39 -42.53 96.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.255 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.37 -44.34 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.455 ' OE2' ' NZ ' ' B' ' 92' ' ' LYS . 76.1 mm-40 -64.6 -36.83 85.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.274 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.46 -45.48 92.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 174.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -58.8 -41.51 86.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -57.4 -53.21 60.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.168 174.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.42 83.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.56 -47.84 91.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.47 -45.06 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.234 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.49 -46.39 88.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.253 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.03 93.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.7 tp -60.59 -47.05 87.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.265 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.04 -42.95 99.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 173.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.55 80.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -172.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.499 ' C ' HD12 ' B' ' 74' ' ' ILE . 2.7 pp -96.32 3.5 9.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 -174.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.6 -137.59 4.06 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -177.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.43 -165.98 10.89 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.45 143.54 35.78 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.523 HG22 ' H ' ' B' ' 80' ' ' ILE . 40.4 m -154.17 136.18 14.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 111.162 176.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . 0.487 ' NZ ' ' OE2' ' B' ' 83' ' ' GLU . 64.9 tttm -51.94 -41.31 61.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.264 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . 0.523 ' H ' HG22 ' B' ' 78' ' ' THR . 96.3 mt -61.18 -39.57 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.272 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 45.4 mt -55.67 -46.16 77.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -66.65 -37.42 84.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.487 ' OE2' ' NZ ' ' B' ' 79' ' ' LYS . 98.7 mt-10 -63.49 -40.28 96.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.292 176.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 74.0 mtm -66.11 -36.99 84.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.254 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.35 -37.48 83.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.159 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -67.17 -53.04 34.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.89 -35.95 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.23 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 45.6 tp -56.36 -51.95 66.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.217 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.22 -45.27 94.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -64.03 -37.19 86.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.215 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.82 -46.66 86.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.07 172.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.455 ' NZ ' ' OE2' ' B' ' 62' ' ' GLU . 60.2 tttp -56.48 -34.47 66.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -177.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 -178.785 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.781 0.324 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.25 -35.24 79.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 44.2 tp -55.5 -49.93 71.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 174.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' LYS . . . . . 0.448 ' NZ ' ' OE2' ' C' ' 14' ' ' GLU . 65.6 tttm -54.64 -49.01 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -59.35 -41.73 89.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 68.8 m -63.39 -41.44 98.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.141 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.32 -30.03 63.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . 0.448 ' OE2' ' NZ ' ' C' ' 10' ' ' LYS . 97.1 mt-10 -62.1 -41.26 98.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 170.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -70.39 -34.62 72.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.231 175.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 66.2 tp -55.11 -45.04 75.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -60.02 -45.97 91.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.86 -45.23 86.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.257 175.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.91 -47.39 89.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.265 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 52.8 tp -54.37 -54.26 42.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.272 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.69 -37.93 80.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.206 -173.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -67.83 -43.36 79.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.43 -29.27 63.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -175.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -63.07 -19.35 64.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.61 -25.2 67.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -153.51 83.84 4.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -74.4 61.07 5.07 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.743 1.629 . . . . 0.0 111.232 -171.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 82.9 p -77.21 165.12 24.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 170.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.19 -39.27 66.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.285 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.87 -49.45 72.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.198 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' C' ' 31' ' ' GLN . 9.2 mm100 -70.18 -35.38 73.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.199 -175.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.74 -51.38 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.62 -27.45 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -62.9 -42.63 99.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.194 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.37 86.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 175.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.05 -44.64 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -52.49 -48.78 65.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.05 81.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.243 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 89.4 mt -65.41 -46.68 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.168 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.8 -45.39 91.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.243 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.75 -37.94 87.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -69.3 -32.68 71.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -61.89 -36.5 81.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.71 -36.21 78.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 173.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -67.91 -33.94 75.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.218 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.89 -52.05 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.217 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -66.56 -29.83 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.4 -43.21 98.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.219 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.98 76.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 87.9 mt -56.89 -44.49 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -50.29 -50.52 50.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.71 -40.08 82.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.29 -43.32 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.275 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.88 -44.38 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -64.59 -39.26 93.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.83 -40.76 98.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 175.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.67 -37.97 83.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.278 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.54 87.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.219 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.76 -38.34 88.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.211 177.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.45 -42.54 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.37 -44.23 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.219 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . 0.439 ' OE2' ' NZ ' ' C' ' 92' ' ' LYS . 76.1 mm-40 -64.65 -36.97 85.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 177.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -62.33 -45.6 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 174.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.69 -41.54 86.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.246 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -57.34 -53.24 60.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.39 -38.4 83.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -177.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 86.3 mt -62.53 -47.88 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.46 -45.11 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.192 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.41 -46.43 88.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.233 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.1 93.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 42.7 tp -60.57 -47.01 88.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.307 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.01 -42.96 99.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 173.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.37 -38.49 80.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -172.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . 0.505 ' C ' HD12 ' C' ' 74' ' ' ILE . 2.7 pp -96.34 3.46 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 -174.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.61 -137.59 4.06 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.4 -165.86 10.86 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.55 143.55 35.64 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.521 HG22 ' H ' ' C' ' 80' ' ' ILE . 40.8 m -154.2 136.15 14.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.173 176.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . 0.461 ' NZ ' ' OE2' ' C' ' 83' ' ' GLU . 64.9 tttm -51.9 -41.38 61.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 80' ' ' ILE . . . . . 0.521 ' H ' HG22 ' C' ' 78' ' ' THR . 96.3 mt -61.06 -39.64 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.266 -176.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 45.1 mt -55.68 -46.12 77.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.68 -37.41 84.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . 0.461 ' OE2' ' NZ ' ' C' ' 79' ' ' LYS . 98.7 mt-10 -63.55 -40.21 96.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.236 177.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 74.0 mtm -66.17 -37.01 84.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -61.4 -37.41 83.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -67.23 -52.97 34.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 175.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.82 -36.06 81.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.202 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 45.9 tp -56.26 -51.99 66.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 177.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.3 -45.18 94.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.97 -37.37 87.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.211 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.73 -46.56 87.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 172.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . 0.439 ' NZ ' ' OE2' ' C' ' 62' ' ' GLU . 60.2 tttp -56.64 -34.37 67.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -177.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 -178.817 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 120.877 0.37 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -73.83 -40.75 63.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.3 mt -64.43 -40.77 96.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.264 172.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -59.43 -49.7 76.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.176 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -60.15 -39.65 87.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.304 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.4 m -62.44 -41.53 98.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.93 -40.12 96.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.69 -39.21 93.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -64.2 -41.68 96.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.191 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.51 -41.71 94.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.235 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -59.99 -47.82 84.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.166 175.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -52.68 -50.01 64.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.1 mm -70.91 -40.07 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.5 tp -56.5 -47.59 78.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.189 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.83 -40.71 89.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.236 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.26 -40.12 92.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.259 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.4 mt -65.37 -41.16 94.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.78 -36.8 79.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -81.16 -48.27 12.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -139.1 83.62 17.78 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 -173.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.88 141.54 85.39 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.66 1.574 . . . . 0.0 111.231 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.4 t -167.33 145.91 4.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.303 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.3 -32.32 64.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.75 -48.69 79.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -75.6 -31.1 59.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.7 mt -61.97 -47.4 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.25 -40.83 90.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.165 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -61.0 -40.36 93.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 175.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.92 88.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.258 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -60.24 -45.25 96.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -49.86 -54.64 18.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.186 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.73 83.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 86.2 mt -65.0 -47.66 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.71 -44.32 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.186 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.39 -40.56 96.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 177.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -63.01 -44.72 95.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.27 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -59.9 -40.92 90.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.91 -41.2 86.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -64.7 -42.89 94.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.5 mt -63.21 -48.47 87.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.233 -176.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.41 -48.62 84.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.284 -175.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -69.84 -37.35 76.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.243 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.56 85.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.157 177.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.68 -44.23 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.183 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -56.08 -41.12 74.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.76 -36.06 69.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.9 -40.56 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.159 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.8 -40.09 85.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -62.2 -38.66 89.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 174.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.89 -38.05 89.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.261 175.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.58 -38.17 86.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.65 89.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.186 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.23 -39.66 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.0 mt -62.86 -41.68 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.249 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.6 t -56.79 -50.25 75.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.241 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.75 -35.36 79.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.149 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.37 -50.61 69.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 174.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -59.28 -38.99 81.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.201 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.29 -53.56 55.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.256 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.71 -37.2 78.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 94.2 mt -65.48 -48.03 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.196 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.59 -44.0 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.231 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.52 -44.33 96.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.34 93.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.468 ' C ' HD23 ' A' ' 71' ' ' LEU . 7.4 tt -59.73 -49.78 76.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.2 -43.85 78.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.26 177.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.61 69.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 pt -106.38 10.92 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.244 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.17 -177.49 50.8 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -168.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.67 -88.71 1.32 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.85 -173.95 48.97 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.5 p -125.28 20.1 8.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.752 0.311 . . . . 0.0 111.219 -174.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.2 -51.53 8.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 -167.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.1 pt -120.66 24.08 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 tp -64.0 -47.98 78.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.8 -35.83 79.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.195 178.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.93 -44.63 96.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 76.8 mtm -62.18 -41.86 98.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.271 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -68.43 -42.52 78.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.62 -50.1 73.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.285 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.1 -38.25 82.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.41 -50.31 74.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.249 175.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.4 -42.0 93.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.1 -42.42 94.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.8 -45.26 87.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -59.4 -42.77 92.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 178.403 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 120.873 0.368 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -73.65 -40.79 63.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.243 -176.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.48 -40.8 96.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 172.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -59.38 -49.69 76.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.191 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -60.15 -39.67 87.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.234 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -62.45 -41.55 98.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.188 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.92 -40.1 96.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.63 -39.22 93.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.241 177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -64.21 -41.68 96.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.227 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 63.6 mt -60.51 -41.7 94.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.236 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.06 -47.75 84.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -52.65 -50.02 64.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.251 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 48.1 mm -70.99 -39.97 75.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 tp -56.63 -47.52 79.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.77 -40.79 89.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.279 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.22 -40.11 92.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.278 176.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.3 mt -65.38 -41.09 94.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.296 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.8 -36.81 79.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -81.18 -48.14 12.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.271 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -139.2 83.58 17.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 -173.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -55.88 141.55 85.42 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.601 1.534 . . . . 0.0 111.244 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 31.4 t -167.27 145.9 4.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.317 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.38 -32.23 64.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.83 -48.64 79.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -75.6 -31.15 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 -178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.0 mt -61.95 -47.4 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.23 -40.88 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.168 177.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.9 -40.39 92.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.225 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.71 -46.88 88.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.312 175.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -60.34 -45.19 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.191 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -49.86 -54.64 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.89 83.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.24 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.0 -47.69 87.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.123 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.69 -44.31 98.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.33 -40.6 96.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -63.05 -44.64 95.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.336 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -59.96 -40.86 90.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.286 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.27 86.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -64.75 -42.8 94.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 81.4 mt -63.29 -48.56 86.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.188 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 42.3 t -58.31 -48.59 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.285 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -69.87 -37.37 76.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 -177.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.49 85.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 177.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.59 -44.33 89.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.226 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -56.03 -41.12 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.77 -36.06 69.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.83 -40.67 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.126 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.73 -40.13 85.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.099 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.13 -38.68 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.098 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.92 -38.08 89.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -61.49 -38.2 86.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.221 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.73 89.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.229 176.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -64.18 -39.67 94.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 84.9 mt -62.89 -41.7 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 43.3 t -56.8 -50.23 75.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.256 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -66.78 -35.26 79.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.43 -50.74 68.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 174.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -59.16 -39.05 81.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.178 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.23 -53.56 55.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.71 -37.18 78.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.231 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.49 -47.99 84.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.25 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.55 -44.06 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.66 -44.19 96.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.84 -45.43 92.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.466 ' C ' HD23 ' B' ' 71' ' ' LEU . 7.4 tt -59.58 -49.82 76.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.305 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.21 -43.72 78.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.321 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.54 -33.61 70.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -177.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 pt -106.35 10.83 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.186 -177.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.15 -177.58 50.83 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -168.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.58 -88.76 1.33 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.78 -173.9 48.85 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 174.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 70.7 p -125.37 20.12 8.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.347 . . . . 0.0 111.254 -174.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.17 -51.47 8.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.241 -167.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 44.0 pt -120.75 24.11 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.215 -176.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 60.5 tp -63.99 -47.96 78.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.88 -35.74 79.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.199 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.96 -44.65 97.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.285 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 76.9 mtm -62.05 -42.0 98.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.322 177.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -68.24 -42.56 79.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.285 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.7 -50.07 73.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.288 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.0 -38.29 82.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.21 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.43 -50.34 74.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.23 175.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.41 -41.98 93.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 -177.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.99 -42.53 94.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 60.6 tp -64.73 -45.2 87.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -59.51 -42.67 92.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 178.374 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.745 0.307 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -73.75 -40.74 63.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.189 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.49 -40.81 96.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.237 172.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -59.36 -49.63 77.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.259 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -60.16 -39.68 87.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.27 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.5 m -62.53 -41.42 98.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.99 -40.15 96.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.64 -39.2 93.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.216 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -64.17 -41.72 97.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.244 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.43 -41.72 94.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.301 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.05 -47.75 84.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 175.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -52.74 -49.98 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.123 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 48.2 mm -70.97 -39.96 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 -176.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 53.3 tp -56.59 -47.55 79.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.78 -40.81 89.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.194 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.15 -40.16 92.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.309 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 mt -65.35 -41.16 94.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.78 -36.77 79.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.186 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -81.19 -48.14 12.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.279 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -139.18 83.54 17.72 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 -173.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -55.92 141.59 85.68 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.626 1.55 . . . . 0.0 111.272 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 31.4 t -167.36 145.93 4.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.28 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.44 -32.25 64.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.76 -48.64 79.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -75.64 -31.13 59.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.95 -47.37 93.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.27 -40.86 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.159 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -61.01 -40.31 93.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.88 88.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.269 175.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.32 -45.18 96.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -49.93 -54.63 18.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.84 83.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.244 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 86.0 mt -65.04 -47.76 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.52 -44.39 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.34 -40.59 96.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 177.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -62.94 -44.76 95.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.336 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -59.96 -40.86 90.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.256 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.31 86.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -64.71 -42.78 95.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.11 176.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 81.4 mt -63.3 -48.55 86.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.13 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.39 -48.61 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 -175.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -69.81 -37.38 76.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.37 -47.57 85.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.183 177.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 79.2 mt -58.53 -44.4 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.19 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -55.97 -41.06 74.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.209 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.87 -35.96 69.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.93 -40.66 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 70.8 t -61.68 -40.19 85.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.095 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.12 -38.63 89.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.134 174.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.95 -38.01 89.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.245 176.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -61.52 -38.21 86.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.73 89.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.26 -39.55 94.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 175.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.93 -41.73 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 43.6 t -56.68 -50.3 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.264 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.77 -35.29 79.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.43 -50.64 68.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.276 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -59.17 -39.01 81.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.26 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.23 -53.65 54.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.205 176.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.67 -37.2 78.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.168 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 94.1 mt -65.46 -48.03 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.59 -44.03 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.58 -44.23 96.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.255 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.31 93.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . 0.467 ' C ' HD23 ' C' ' 71' ' ' LEU . 7.4 tt -59.74 -49.8 76.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 -178.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.18 -43.79 78.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.287 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.55 -33.56 70.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 pt -106.35 10.82 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.166 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.2 -177.56 50.78 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -168.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.6 -88.71 1.32 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.84 -173.95 48.96 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 174.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 69.5 p -125.31 20.12 8.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.863 0.363 . . . . 0.0 111.256 -174.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.24 -51.48 8.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -167.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 44.0 pt -120.73 24.2 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.233 -176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 60.2 tp -64.02 -47.98 78.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.88 -35.71 79.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.06 -44.58 97.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.257 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 76.8 mtm -62.16 -41.92 98.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.248 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -68.31 -42.53 79.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.252 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.71 -50.08 73.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.236 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.05 -38.22 82.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.198 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.48 -50.37 74.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 175.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.28 -42.07 93.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.01 -42.44 94.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.212 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.78 -45.23 87.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -59.49 -42.73 92.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 178.355 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.843 0.354 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.4 -37.94 87.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.261 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.66 -42.73 95.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.242 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -65.28 -39.83 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -57.01 -47.96 79.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.182 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.7 m -60.54 -40.13 90.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.1 mt -62.06 -40.32 95.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.218 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.31 -37.43 87.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -64.03 -42.88 96.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.28 174.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.55 -39.04 92.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.211 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -57.26 -50.75 71.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -58.48 -43.43 88.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.75 -42.73 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.8 mt -59.29 -43.93 92.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.241 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.46 -43.9 96.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.208 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.52 -38.18 86.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.7 tp -64.43 -47.62 78.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.73 -42.01 78.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.245 -176.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.99 -41.63 86.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -137.45 79.14 36.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.211 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -54.56 134.89 64.28 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.718 1.612 . . . . 0.0 111.232 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.9 p -165.33 156.14 13.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.53 -37.55 75.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.184 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.61 -52.35 65.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.226 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -67.39 -35.27 78.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -177.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -63.35 -49.28 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.23 -45.58 95.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.31 -39.85 95.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.39 86.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 176.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.1 mt -61.69 -46.9 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.255 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.98 -47.15 83.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.249 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.29 83.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.09 -44.7 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.267 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.35 -42.65 94.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.267 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -58.64 -47.09 85.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.222 174.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -57.76 -43.81 85.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.236 176.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -60.19 -40.35 89.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.3 -41.48 89.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -65.37 -40.11 93.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.0 mt -62.23 -50.72 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.54 -45.81 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.258 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -64.07 -39.46 94.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.193 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.78 84.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.23 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.4 mt -57.45 -44.62 84.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -54.85 -46.06 74.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.53 76.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.92 -46.1 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 176.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.45 -46.76 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.195 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.91 -40.84 97.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.259 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -67.2 -37.28 83.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.211 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.53 -39.9 85.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.3 88.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -66.95 -38.1 85.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.281 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.9 mt -61.41 -43.43 96.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.18 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.73 -44.6 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.89 -40.3 94.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.248 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.73 -45.06 91.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -60.37 -38.36 83.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.18 -47.75 84.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.258 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.88 -38.09 84.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.88 -44.73 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.23 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.94 -43.23 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.245 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.62 -39.77 77.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.196 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.5 95.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.157 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.1 mt -58.55 -44.99 89.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 175.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -55.0 -46.56 75.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 175.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.2 -37.29 74.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.192 -175.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.2 pt -102.54 13.7 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 -173.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.5 -1.84 32.9 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.62 147.42 49.81 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -171.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.18 -24.57 27.51 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.7 p -131.04 169.96 15.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.717 0.294 . . . . 0.0 111.263 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -61.92 -29.5 70.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 -171.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.84 -23.13 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.24 -177.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.9 tp -51.83 -52.22 50.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 175.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.01 -40.39 65.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -172.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.1 -36.5 84.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -175.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 73.6 mtm -74.46 -39.93 62.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.33 -35.4 69.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.229 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.74 -26.68 62.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.68 -25.61 66.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.97 -35.3 79.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.26 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.42 -38.76 74.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.47 -39.51 77.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.238 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.3 tp -71.25 -38.57 71.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.68 -26.55 14.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.158 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -177.407 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.91 0.386 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.44 -37.91 87.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.217 176.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.69 -42.69 95.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.266 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -65.27 -39.82 93.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.222 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -57.09 -47.86 80.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 55.8 m -60.57 -40.17 90.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.03 -40.35 95.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.237 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -65.21 -37.6 87.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -63.92 -43.01 97.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.53 -38.91 91.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.254 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -57.43 -50.61 72.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 177.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -58.63 -43.35 89.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 87.6 mt -60.78 -42.72 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 63.7 mt -59.26 -44.0 92.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.44 -43.86 96.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.216 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.47 -38.25 86.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.41 -47.57 78.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -68.88 -41.96 77.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -176.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.93 -41.71 86.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.208 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -137.4 79.18 36.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.217 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -54.53 134.98 64.59 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.73 1.62 . . . . 0.0 111.172 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.2 p -165.43 156.12 13.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.61 -37.44 75.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.63 -52.33 65.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -67.48 -35.27 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.225 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.31 -49.33 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.26 -45.55 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.29 -39.98 96.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.37 86.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.246 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.72 -46.95 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.172 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.95 -47.25 83.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.156 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.25 -38.39 83.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.0 mt -64.06 -44.65 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.306 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.4 -42.68 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -58.63 -47.07 85.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.235 174.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -57.77 -43.84 85.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.14 -40.39 89.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.53 89.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -65.31 -40.16 93.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.16 -50.7 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.61 -45.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -175.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.9 -39.45 94.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.274 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.67 -46.72 84.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.204 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 90.1 mt -57.4 -44.72 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -54.77 -46.05 74.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.63 -39.52 77.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.93 -46.06 95.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.45 -46.83 92.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.216 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.86 -40.91 97.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.299 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -67.14 -37.27 83.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.228 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -59.57 -39.69 84.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.23 89.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.201 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -66.99 -38.17 85.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 79.1 mt -61.39 -43.45 96.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.206 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.71 -44.6 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 176.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -61.88 -40.33 95.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.281 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.61 -45.2 91.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 177.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.3 -38.4 83.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.17 -47.71 84.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.275 176.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.9 -38.03 84.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.219 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.88 -44.77 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.88 -43.27 96.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.24 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.68 -39.69 77.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.208 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.44 95.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.62 -45.04 90.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -54.98 -46.44 75.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.294 175.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.31 -37.2 74.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 -175.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 47.3 pt -102.68 13.76 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 -173.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.52 -1.87 32.84 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.61 147.34 49.82 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -171.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.26 -24.63 27.24 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 82.6 p -130.96 169.97 15.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 111.175 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -61.89 -29.56 70.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -171.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.87 -23.06 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 -177.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.8 tp -51.97 -52.14 52.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.08 -40.3 65.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.17 -172.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.19 -36.46 84.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -175.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 73.6 mtm -74.48 -39.93 62.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 175.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.35 -35.35 69.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.18 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.83 -26.62 62.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.73 -25.58 66.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.98 -35.31 79.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.4 -38.7 74.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -176.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -69.59 -39.44 77.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.243 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 54.0 tp -71.14 -38.68 72.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.7 -26.44 13.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 -174.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 -177.419 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.852 0.358 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.41 -37.95 87.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.252 176.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.71 -42.68 95.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.246 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -65.27 -39.78 93.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.275 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -57.2 -47.77 80.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 174.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 55.9 m -60.54 -40.23 90.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.99 -40.37 95.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -65.23 -37.52 87.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.194 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -64.02 -42.9 96.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.55 -38.98 92.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.234 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -57.36 -50.72 72.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -58.5 -43.36 89.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.79 -42.83 93.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 64.3 mt -59.19 -43.94 92.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.43 -43.93 96.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.42 -38.21 86.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.41 -47.53 78.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.87 -42.02 77.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.96 -41.64 86.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.41 79.13 36.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -54.58 134.96 64.71 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.706 1.604 . . . . 0.0 111.237 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -165.36 156.15 13.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.59 -37.5 75.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 174.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.63 -52.38 65.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -67.36 -35.36 79.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.27 -49.3 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.29 -45.63 95.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.22 -39.92 95.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.38 86.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.183 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.8 -47.0 95.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.89 -47.24 83.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.37 83.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.191 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.16 -44.7 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.231 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 79.6 t -61.28 -42.75 94.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.183 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -58.57 -47.21 85.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 174.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -57.67 -43.8 85.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.299 176.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.25 -40.3 89.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.53 89.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -65.33 -40.15 93.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 176.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.21 -50.67 79.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.64 -45.83 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -175.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -63.91 -39.47 94.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.278 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.77 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.184 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 90.3 mt -57.45 -44.66 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -54.8 -45.96 74.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.212 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.62 -39.59 77.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.85 -46.03 95.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.273 176.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.51 -46.82 92.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 -178.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.87 -40.88 97.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.297 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -67.16 -37.27 83.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.216 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -59.6 -39.75 85.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.19 88.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -67.08 -37.99 84.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.289 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 79.3 mt -61.42 -43.48 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.191 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.68 -44.68 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 176.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.82 -40.32 94.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.261 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.78 -45.07 91.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -60.29 -38.41 83.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.15 -47.78 84.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.222 176.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.9 -38.0 84.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.188 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.9 -44.71 98.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.05 -43.1 96.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.72 -39.7 77.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.195 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.42 95.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.66 -44.97 90.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -55.03 -46.51 75.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 175.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.23 -37.21 74.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.267 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 47.2 pt -102.64 13.73 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 -173.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.47 -1.9 32.96 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.57 147.37 49.75 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -171.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.16 -24.58 27.53 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 82.6 p -130.9 169.97 15.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.735 0.303 . . . . 0.0 111.246 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -61.86 -29.55 70.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 -171.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.89 -23.01 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.246 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 53.0 tp -51.9 -52.24 51.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 175.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.09 -40.25 65.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.198 -172.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.2 -36.43 84.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -175.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 73.5 mtm -74.47 -39.89 62.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.255 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.35 -35.38 69.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.185 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.76 -26.72 62.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.67 -25.54 66.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.11 -35.19 79.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.41 -38.79 74.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.51 -39.49 77.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.245 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 53.9 tp -71.18 -38.62 72.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.8 -26.46 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -174.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.27 -177.448 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 CA--C 1.523 -0.067 0 CA-C-O 120.847 0.355 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -63.8 -49.36 73.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 -173.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.4 mt -81.13 -30.2 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 -172.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.21 -44.99 88.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -53.26 -48.05 68.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.5 m -59.42 -41.28 89.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.0 mt -65.71 -38.4 89.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.241 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.06 -36.44 84.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -58.19 -47.35 83.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 173.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.6 -40.15 96.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -60.99 -57.18 13.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.92 -46.34 89.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 -176.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.23 -42.04 93.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.507 HD13 ' C ' ' A' ' 20' ' ' LEU . 3.2 tm? -63.96 -48.29 77.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.248 178.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -58.91 -44.46 91.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -62.72 -40.93 98.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.246 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.1 tp -59.97 -50.24 74.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.234 176.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.33 -41.61 98.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.296 -174.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.64 -41.07 93.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.93 79.5 32.86 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -57.03 142.95 94.08 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.649 1.566 . . . . 0.0 111.214 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -161.5 158.62 26.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.27 -25.0 67.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -75.15 -54.79 6.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.251 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -73.03 -30.51 63.8 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.073 -171.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 tp -62.91 -28.29 44.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.782 0.325 . . . . 0.0 111.196 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.5 t -83.2 -44.09 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 175.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.83 -39.44 89.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.8 -38.18 81.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.41 -44.85 71.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.259 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -54.66 -47.99 72.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.236 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.94 -38.93 76.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.242 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.3 mt -65.12 -43.95 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.87 -42.99 91.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.68 -42.8 97.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.125 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -65.64 -40.21 92.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.253 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.34 -39.23 86.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.16 -42.15 90.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -66.22 -42.43 88.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.9 mt -60.22 -51.6 71.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 50.7 t -64.16 -43.77 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -58.72 -43.78 90.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.58 96.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.5 mt -62.83 -45.14 99.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.244 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -55.08 -44.09 74.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 177.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.24 -46.17 88.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.3 mt -61.09 -45.55 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -176.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.91 -47.53 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -64.93 -38.9 92.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.242 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -64.01 -41.3 97.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.76 -39.25 93.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.302 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.98 86.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.76 -39.43 93.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 86.5 mt -63.2 -42.68 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.207 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.8 t -58.87 -43.95 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -61.22 -43.07 99.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.192 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.5 -43.56 96.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.209 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.37 -37.73 86.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -58.1 -48.54 79.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 174.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.79 -37.96 86.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.13 -44.14 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.76 -45.52 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.249 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.84 -40.5 76.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.207 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.71 -43.29 90.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.191 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.89 -42.77 99.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -61.16 -35.8 78.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.248 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.18 -58.97 4.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.6 pt -81.34 -12.91 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.183 -172.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.69 18.13 48.06 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.42 132.43 46.47 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.74 -13.66 63.68 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.1 p -82.93 169.19 16.3 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.364 0.602 . . . . 0.0 111.052 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -85.51 -24.16 27.43 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.251 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 33.5 pt -60.98 -14.63 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.11 -36.22 76.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 177.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.53 -36.41 83.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 -172.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.23 -42.53 17.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.237 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 65.1 mtm -63.66 -41.15 98.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.216 -173.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.65 -37.22 85.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.12 -46.67 70.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.11 -38.25 88.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.208 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.483 ' C ' HD23 ' A' ' 88' ' ' LEU . 8.8 tt -59.16 -50.21 74.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.258 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.18 -44.62 94.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -177.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.33 -39.1 74.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.22 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.99 -50.3 74.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.256 176.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.85 -45.87 71.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.209 -177.77 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.781 0.324 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -63.83 -49.32 73.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -173.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -81.17 -30.21 34.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -172.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.2 -45.01 88.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 174.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -53.13 -48.25 68.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.225 176.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 73.4 m -59.37 -41.26 88.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.251 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 72.2 mt -65.64 -38.43 89.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.225 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.1 -36.42 83.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -58.24 -47.26 84.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.252 173.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.62 -40.02 95.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -61.16 -57.08 13.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.145 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.94 -46.36 89.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.219 -176.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.12 -42.08 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.248 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.514 HD13 ' C ' ' B' ' 20' ' ' LEU . 3.2 tm? -64.03 -48.29 76.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.182 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -58.88 -44.38 91.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -62.8 -40.89 98.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.261 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.95 -50.27 74.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 176.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.37 -41.67 98.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.19 -174.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.65 -41.03 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.146 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.9 79.52 32.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.245 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -57.04 142.92 94.14 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.742 1.628 . . . . 0.0 111.142 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 93.1 p -161.48 158.61 26.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.28 -25.03 67.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -75.13 -54.84 6.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -72.95 -30.56 63.95 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.094 -171.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 tp -62.9 -28.31 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.791 0.329 . . . . 0.0 111.132 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 72.8 t -83.22 -44.1 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 175.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.77 -39.54 89.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.77 -38.15 81.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.2 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -71.43 -44.86 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -54.59 -48.01 72.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.245 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.03 -38.89 77.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 83.5 mt -65.16 -43.99 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.82 -43.01 90.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.62 -42.83 97.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.152 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -65.63 -40.25 92.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.33 -39.18 86.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.15 90.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -66.27 -42.33 88.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.3 -51.6 71.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.189 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 51.0 t -64.1 -43.9 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -177.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -58.56 -43.91 89.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.229 178.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.55 96.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.8 -45.22 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.25 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -55.06 -44.07 74.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.28 -46.18 87.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.15 -45.46 98.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -176.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.95 -47.54 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.19 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.04 -38.75 91.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.26 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -64.09 -41.2 97.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.272 176.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.78 -39.29 93.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.251 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.92 86.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.74 -39.49 93.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.11 -42.77 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.205 175.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 45.7 t -58.85 -43.99 89.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -61.28 -42.96 99.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.199 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -63.59 -43.49 96.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.221 176.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.32 -37.84 87.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.19 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -57.9 -48.66 79.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 174.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.97 86.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.12 -44.07 94.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.81 -45.54 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.198 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.75 -40.57 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.222 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.74 -43.24 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.221 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.94 -42.76 99.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.192 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -61.13 -35.84 78.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.23 -58.92 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.273 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 pt -81.28 -12.94 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.212 -172.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.63 18.1 48.33 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.37 132.39 46.27 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.73 -13.61 63.75 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 176.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 61.5 p -82.92 169.23 16.26 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 121.419 0.628 . . . . 0.0 111.03 -178.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -85.53 -24.21 27.38 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.208 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.4 pt -60.95 -14.6 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.241 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.14 -36.23 77.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.277 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.62 -36.24 83.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.188 -172.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.26 -42.53 17.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.278 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 65.2 mtm -63.73 -41.13 98.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -173.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.56 -37.31 85.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.07 -46.72 70.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 175.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.1 -38.18 87.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.475 HD23 ' C ' ' B' ' 88' ' ' LEU . 8.8 tt -59.26 -50.18 75.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.18 -44.64 94.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 -176.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.29 -39.2 75.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.92 -50.37 74.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.246 176.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.8 -45.88 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.216 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.216 -177.754 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.797 0.332 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -63.8 -49.32 73.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.196 -173.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -81.17 -30.19 34.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -172.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.25 -44.94 88.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 174.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -53.17 -48.21 68.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 73.4 m -59.44 -41.28 89.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 72.0 mt -65.65 -38.44 89.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.13 -36.39 83.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -58.2 -47.42 83.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 173.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.47 -40.21 96.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.161 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -61.02 -57.11 13.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.98 -46.28 89.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.243 -176.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.12 -42.15 93.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.216 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' LEU . . . . . 0.511 HD13 ' C ' ' C' ' 20' ' ' LEU . 3.2 tm? -63.98 -48.3 76.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 178.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -58.92 -44.38 91.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.208 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -62.76 -40.88 98.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.267 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.03 -50.26 74.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.44 -41.56 98.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.191 -174.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.57 -41.16 93.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.176 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.83 79.53 33.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.238 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -57.07 142.94 94.22 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.667 1.578 . . . . 0.0 111.183 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 93.5 p -161.47 158.62 26.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.209 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.18 -25.09 67.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -75.1 -54.82 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -72.97 -30.58 63.94 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.04 -171.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 tp -62.86 -28.33 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.714 0.292 . . . . 0.0 111.148 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 72.3 t -83.28 -43.97 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.195 175.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.8 -39.55 89.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.66 -38.23 80.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.262 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.36 -44.93 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -54.58 -48.06 72.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.198 176.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.01 -38.85 76.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.234 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 84.1 mt -65.14 -43.86 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.246 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.91 -42.98 91.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.62 -42.79 97.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.18 175.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -65.7 -40.28 92.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.26 -39.27 86.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.29 90.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 176.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -66.11 -42.34 89.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 79.5 mt -60.29 -51.64 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 51.4 t -64.11 -43.79 97.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.188 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -58.61 -43.86 89.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.28 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.82 -44.53 96.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.204 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.75 -45.21 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.261 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -55.04 -44.14 74.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 177.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.18 -46.17 88.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.267 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.08 -45.52 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.255 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.93 -47.51 93.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.21 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.06 -38.79 91.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -64.02 -41.22 97.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.264 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.84 -39.33 94.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.187 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.02 86.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.152 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.71 -39.46 93.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.104 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.16 -42.71 97.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.219 175.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 45.8 t -58.83 -43.99 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -61.32 -42.92 99.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.175 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -63.68 -43.46 96.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.193 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.32 -37.82 87.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -57.99 -48.56 79.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 174.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.97 86.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 69.1 mt -60.12 -44.09 94.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.242 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.8 -45.57 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.72 -40.62 76.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.23 89.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.242 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.93 -42.72 99.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.242 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -61.17 -35.8 78.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.26 -58.96 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.197 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 pt -81.24 -12.99 12.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -172.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.61 18.13 48.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.45 132.42 46.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.8 -13.69 63.58 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 60.9 p -82.87 169.24 16.29 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.368 0.604 . . . . 0.0 111.045 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -85.59 -24.19 27.28 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.216 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 33.5 pt -60.87 -14.7 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.228 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.08 -36.31 77.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.226 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.5 -36.34 83.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 -172.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.22 -42.6 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.235 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 65.3 mtm -63.64 -41.07 98.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.277 -173.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.68 -37.22 85.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.215 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.1 -46.64 70.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 175.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.19 -38.16 88.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 88' ' ' LEU . . . . . 0.483 ' C ' HD23 ' C' ' 88' ' ' LEU . 8.8 tt -59.22 -50.25 74.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.12 -44.69 94.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.27 -39.13 75.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 55.3 tp -58.92 -50.33 74.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.277 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.88 -45.89 71.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 -177.723 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -100.02 5.8 45.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 0.0 111.242 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -64.51 133.46 52.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.184 -177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 59.3 ttm -109.88 136.96 48.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.178 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.08 156.9 33.05 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -175.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 85.8 m -60.7 -41.24 94.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 111.262 174.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.0 -36.78 80.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.236 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -57.11 -41.54 79.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.257 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.01 -43.01 99.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.244 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.45 -49.41 77.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.182 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -60.75 -39.08 87.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.23 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -62.39 -39.7 94.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 mt -74.26 -26.6 60.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.8 -40.1 94.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.225 174.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -65.41 -42.19 92.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.0 -43.21 86.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.226 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -54.71 -49.48 70.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.198 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -53.65 -45.93 70.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.275 178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.6 -43.46 98.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 57.6 tp -56.58 -49.36 75.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.172 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.17 -40.79 86.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 -178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -64.9 -39.81 94.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.35 -49.92 75.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.273 176.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.68 -41.37 98.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -175.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.14 -41.27 81.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.234 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -136.61 79.18 41.52 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.214 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -54.51 134.58 62.47 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.724 1.616 . . . . 0.0 111.239 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.8 p -164.94 156.83 15.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.211 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.33 -38.24 76.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.69 -52.53 64.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.86 -33.21 75.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.297 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.6 mt -63.11 -49.65 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 177.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.7 t -64.83 -42.63 95.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.228 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -65.09 -39.16 92.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.92 92.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.76 -46.83 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.7 ttp85 -52.42 -52.39 54.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.314 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.12 85.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 82.3 mt -63.55 -46.91 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.2 t -58.56 -46.41 89.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.216 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -63.96 -41.07 97.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -67.96 -35.2 77.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.289 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -59.89 -41.64 92.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 176.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.08 98.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 174.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -61.46 -40.05 93.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.211 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 90.1 mt -62.33 -47.67 91.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.7 t -64.63 -41.39 92.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -64.68 -39.25 93.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.98 -43.65 98.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 173.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 86.3 mt -61.42 -44.86 99.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.22 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -49.35 -56.5 9.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.237 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.4 93.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.204 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 87.9 mt -59.32 -46.54 92.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.4 t -62.21 -42.01 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.69 -40.44 92.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.255 176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.45 -42.63 95.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 174.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.37 -38.92 85.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.14 90.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.132 176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -64.08 -38.57 91.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 177.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.26 -41.96 94.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.16 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.3 t -59.37 -46.39 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.194 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.54 -42.04 95.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -61.61 -38.51 87.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.181 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -61.96 -38.26 87.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 178.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.89 -37.71 88.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.22 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.03 87.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.485 HG13 HE22 ' C' ' 87' ' ' GLN . 82.4 mt -59.7 -44.08 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 175.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.92 -47.93 91.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.35 -43.09 96.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.43 -40.81 93.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.254 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.5 tp -64.51 -47.98 76.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.54 -33.98 74.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.179 -178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.72 -59.04 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 34.4 pt -73.56 -22.02 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 -175.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.3 11.43 67.17 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.57 133.37 35.0 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -175.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.429 ' H ' HD11 ' A' ' 81' ' ' LEU . . . 95.91 -14.75 64.22 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 80' ' ' ILE . 56.9 m -86.31 142.93 28.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 111.205 -178.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.47 -32.27 26.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.176 -174.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.42 ' H ' HG22 ' A' ' 78' ' ' THR . 50.4 pt -50.23 -23.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 -172.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.429 HD11 ' H ' ' A' ' 77' ' ' GLY . 91.9 mt -54.68 -36.49 64.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.273 -177.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -62.48 -34.2 76.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -101.1 -35.39 9.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 -171.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 79.5 mmm -66.1 -32.86 74.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.252 -177.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.0 -35.65 80.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.55 -42.0 98.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.488 HE22 HG13 ' B' ' 67' ' ' ILE . 46.3 tt0 -60.23 -46.9 88.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.207 177.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 tt -52.39 -45.86 66.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.38 -38.11 88.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.199 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -67.11 -38.6 85.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.251 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.03 -40.38 96.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -57.32 -45.79 83.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 174.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -53.84 -46.1 71.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 175.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.7 m -65.82 -38.55 89.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 28.9 tp -58.49 -32.23 68.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -89.65 16.43 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.116 -174.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -129.01 146.35 51.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.167 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.053 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.428 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.579 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 87.8 p -100.03 5.84 45.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 0.0 111.214 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -64.66 133.5 52.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.152 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 59.3 ttm -109.8 136.94 48.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.212 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.11 156.9 33.0 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -175.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 84.9 m -60.78 -41.14 94.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.861 0.362 . . . . 0.0 111.186 174.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -61.12 -36.71 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -57.12 -41.5 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.266 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.09 -43.06 99.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.163 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -59.37 -49.35 78.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.245 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -60.83 -39.09 87.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -62.44 -39.61 93.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.273 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 63.5 mt -74.32 -26.61 60.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.86 -40.02 93.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 174.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -65.49 -42.07 92.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.141 172.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 57.3 tp -58.11 -43.11 87.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.182 176.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -54.77 -49.51 70.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -53.65 -45.91 70.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.273 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.63 -43.42 98.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 57.8 tp -56.65 -49.24 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.3 -40.67 86.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.0 -39.7 93.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.078 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.39 -49.96 75.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.275 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.64 -41.42 98.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 -175.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.17 -41.18 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.252 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -136.68 79.19 41.07 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.48 134.56 62.28 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.657 1.572 . . . . 0.0 111.261 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 93.9 p -164.92 156.91 15.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.199 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.33 -38.31 76.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.69 -52.48 64.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.92 -33.26 75.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.234 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.02 -49.7 82.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 177.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 63.2 t -64.86 -42.62 95.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.21 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -65.08 -39.21 92.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.89 92.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.85 -46.76 95.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -52.49 -52.38 54.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.266 178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.11 86.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 82.7 mt -63.48 -46.9 93.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.23 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -58.69 -46.26 90.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.199 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -64.01 -41.09 97.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.207 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -67.99 -35.24 78.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.83 -41.64 91.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 176.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.1 98.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.193 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -61.47 -39.97 92.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.238 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 89.9 mt -62.43 -47.64 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.64 -41.39 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.243 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.62 -39.25 93.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.248 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.08 -43.59 98.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 173.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 86.1 mt -61.39 -44.9 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 176.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -49.38 -56.43 9.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.5 -44.45 93.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -177.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 87.7 mt -59.28 -46.58 92.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 43.9 t -62.3 -41.87 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.215 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.68 -40.59 92.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 176.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.42 -42.56 95.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.4 -38.94 85.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.229 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.22 90.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.14 176.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -64.01 -38.67 91.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 177.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 91.2 mt -63.21 -41.93 94.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.216 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 50.2 t -59.37 -46.4 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.54 -42.1 95.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 174.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -61.48 -38.64 88.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.191 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -62.01 -38.13 87.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.9 -37.74 88.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.273 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.05 87.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 178.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.488 HG13 HE22 ' A' ' 87' ' ' GLN . 82.5 mt -59.67 -44.11 92.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 175.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.9 -47.86 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.42 -43.13 97.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.35 -40.85 94.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.279 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 66.8 tp -64.54 -47.92 76.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.193 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.5 -34.12 74.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.136 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.67 -59.03 6.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.228 178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 34.2 pt -73.54 -21.96 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 -175.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.41 11.47 66.95 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.61 133.36 35.17 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . 0.431 ' H ' HD11 ' B' ' 81' ' ' LEU . . . 95.86 -14.61 64.46 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.414 HG22 ' H ' ' B' ' 80' ' ' ILE . 56.3 m -86.38 142.8 28.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.759 0.314 . . . . 0.0 111.218 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.32 -32.36 25.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.233 -174.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.414 ' H ' HG22 ' B' ' 78' ' ' THR . 50.5 pt -50.14 -23.61 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.219 -172.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.431 HD11 ' H ' ' B' ' 77' ' ' GLY . 91.9 mt -54.6 -36.55 64.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.228 -177.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.49 -34.22 76.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -174.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -101.15 -35.43 9.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -171.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 79.5 mmm -66.06 -32.89 74.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 -177.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.08 -35.54 80.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 176.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.61 -41.93 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.178 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . 0.475 HE22 HG13 ' C' ' 67' ' ' ILE . 46.3 tt0 -60.22 -46.85 88.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 177.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.401 ' C ' HD23 ' B' ' 88' ' ' LEU . 9.7 tt -52.46 -45.82 66.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.35 -38.23 88.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.19 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.95 -38.65 86.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.264 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.05 -40.43 96.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.191 175.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -57.24 -45.84 83.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -53.85 -46.03 71.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 175.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 74.6 m -65.88 -38.57 89.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 28.8 tp -58.37 -32.3 68.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.254 -178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -89.65 16.42 7.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 -174.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -128.99 146.4 50.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.205 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.074 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.496 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -99.98 5.73 45.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.811 0.339 . . . . 0.0 111.252 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 -64.56 133.48 52.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.2 -177.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 59.3 ttm -109.85 136.93 48.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.13 156.9 32.96 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -175.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 85.4 m -60.75 -41.1 94.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 111.264 174.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.22 -36.55 80.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -57.25 -41.47 79.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.243 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.08 -43.06 99.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.38 -49.39 78.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.268 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -60.74 -39.1 87.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.247 -175.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 64.0 m -62.43 -39.66 94.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.236 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 63.8 mt -74.29 -26.62 60.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.82 -40.05 93.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.258 174.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -65.43 -42.17 92.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.222 172.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 57.2 tp -57.98 -43.13 86.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 176.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -54.74 -49.51 70.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 176.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -53.71 -45.9 70.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.61 -43.42 98.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 57.7 tp -56.57 -49.34 75.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.238 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.15 -40.79 86.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.248 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -64.89 -39.77 94.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.171 175.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.32 -49.94 75.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.263 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.69 -41.38 98.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.206 -175.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.19 -41.11 81.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.25 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -136.71 79.15 40.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 -178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.51 134.6 62.59 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.674 1.583 . . . . 0.0 111.279 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 94.9 p -164.95 156.89 15.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.21 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.35 -38.28 76.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.207 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.67 -52.47 65.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.208 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.94 -33.24 75.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.276 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.0 -49.71 82.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.219 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.79 -42.7 95.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.257 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -65.01 -39.17 93.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.261 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.89 92.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 87.4 mt -62.82 -46.81 95.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.182 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -52.44 -52.5 53.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.232 178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.41 -40.09 85.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.254 -178.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.5 -46.96 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -58.6 -46.33 90.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -64.02 -41.04 97.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.204 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -68.04 -35.16 77.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.89 -41.61 92.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 176.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.13 98.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 174.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -61.37 -40.1 93.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.254 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 90.6 mt -62.22 -47.69 91.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.274 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.7 -41.29 91.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.292 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -64.67 -39.28 93.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.189 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.52 98.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.191 173.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.52 -44.85 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -49.4 -56.39 9.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.273 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.47 93.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 -177.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 87.9 mt -59.32 -46.56 92.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 44.5 t -62.23 -42.04 93.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.55 -40.53 91.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.259 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.9 m-20 -64.48 -42.52 95.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 174.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -60.41 -38.96 85.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.194 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.19 90.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -64.01 -38.56 91.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.33 -41.86 94.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.216 177.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 50.3 t -59.38 -46.45 92.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 176.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.46 -42.11 95.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 174.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -61.54 -38.56 87.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.185 177.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -62.04 -38.15 87.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -63.9 -37.74 88.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.221 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.05 87.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . 0.475 HG13 HE22 ' B' ' 87' ' ' GLN . 82.4 mt -59.69 -44.1 92.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.235 175.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.92 -47.87 91.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.189 -178.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.46 -42.98 97.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.241 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.56 -40.78 93.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.239 176.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 66.5 tp -64.5 -47.92 77.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.237 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.53 -34.04 74.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.198 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.76 -58.9 6.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.284 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 34.6 pt -73.68 -21.93 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.196 -175.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.38 11.45 67.01 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -51.56 133.33 35.0 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -175.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . 0.425 ' H ' HD11 ' C' ' 81' ' ' LEU . . . 95.91 -14.7 64.3 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.425 HG22 ' H ' ' C' ' 80' ' ' ILE . 56.3 m -86.36 142.84 28.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.765 0.317 . . . . 0.0 111.239 -178.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.39 -32.34 25.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.116 -174.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' ILE . . . . . 0.425 ' H ' HG22 ' C' ' 78' ' ' THR . 50.4 pt -50.2 -23.61 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.236 -172.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . 0.425 HD11 ' H ' ' C' ' 77' ' ' GLY . 91.8 mt -54.57 -36.54 64.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.254 -177.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -62.54 -34.14 76.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 -174.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -101.17 -35.41 9.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 -171.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 79.5 mmm -66.03 -32.93 74.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.211 -177.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -66.96 -35.65 80.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 176.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.58 -41.92 98.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . 0.485 HE22 HG13 ' A' ' 67' ' ' ILE . 46.3 tt0 -60.28 -46.86 88.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 177.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 9.7 tt -52.41 -45.89 66.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.33 -38.19 88.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -67.0 -38.65 86.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.253 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.0 -40.44 96.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.253 175.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . 0.411 ' NZ ' ' OE2' ' C' ' 96' ' ' GLU . 66.3 tttm -57.22 -45.84 83.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 174.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -53.82 -46.04 71.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 175.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 74.5 m -65.91 -38.54 88.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 177.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 28.9 tp -58.43 -32.29 68.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . 0.411 ' OE2' ' NZ ' ' C' ' 92' ' ' LYS . 96.4 mt-10 -89.65 16.51 7.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.178 -174.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -129.06 146.3 51.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.198 -2.099 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.439 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.601 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p -69.25 155.92 39.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.755 0.312 . . . . 0.0 111.245 177.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -122.64 -18.82 6.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.268 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 56.8 ttm -70.15 140.32 52.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 -172.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.81 70.19 0.96 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.0 p -97.77 11.12 38.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 111.198 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.18 -42.77 95.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.94 -34.63 76.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.2 tp -64.83 -47.06 79.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.281 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.98 -41.51 95.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -61.44 -40.42 94.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.25 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.2 m -61.63 -39.38 91.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.19 -42.53 86.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -63.53 -35.68 81.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -63.04 -40.83 98.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.219 175.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.408 HD13 HD22 ' C' ' 43' ' ' ASN . 77.1 mt -61.71 -39.54 91.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 177.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -58.31 -51.41 69.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.2 177.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.5 tt0 -55.34 -48.51 74.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.283 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.01 -43.29 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.6 tp -57.7 -45.94 85.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.202 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.45 -38.91 85.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.262 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -65.42 -38.57 90.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.9 mt -62.26 -38.75 90.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.207 177.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.75 -38.04 86.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -77.07 -39.81 48.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.233 177.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -153.82 95.76 2.81 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 -176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.22 60.67 7.94 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.706 1.604 . . . . 0.0 111.212 -175.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 94.4 p -76.75 158.74 30.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 -177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.63 -36.53 74.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.221 175.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.44 -48.79 79.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.216 177.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -67.25 -35.41 79.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.179 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.4 mt -65.17 -49.09 80.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.117 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.59 -33.29 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.295 -177.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.56 -36.19 78.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.211 173.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.73 90.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 174.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.8 mt -60.42 -46.43 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.208 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -50.83 -53.95 27.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 174.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.72 83.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.24 -46.25 87.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.55 -43.85 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.03 -40.32 97.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.265 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -63.11 -40.94 99.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.25 -36.22 79.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.0 -41.51 87.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.252 175.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.85 -37.77 79.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.183 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.95 -50.96 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.2 -45.44 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.242 -175.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -66.33 -39.69 89.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -178.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.17 97.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.212 176.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 87.7 mt -63.51 -47.1 93.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.203 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -57.77 -42.67 84.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.26 -44.26 95.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.248 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.405 HG21 ' CG2' ' C' ' 53' ' ' ILE . 96.3 mt -62.27 -40.46 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -57.92 -48.0 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.207 175.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.15 -42.11 89.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.18 -41.48 98.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.278 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -64.58 -38.09 89.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.268 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.61 -43.73 89.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 175.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -64.92 -42.51 94.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.85 -50.24 81.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.237 -177.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.88 -43.88 99.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.211 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -63.97 -39.13 93.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.185 176.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.32 -37.44 85.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.18 177.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -59.67 -37.91 80.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.235 178.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.63 -42.35 99.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.32 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.62 87.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 177.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.96 -44.12 99.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.61 -40.22 88.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.189 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.58 -39.73 85.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 175.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.47 -37.89 87.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 174.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.27 -49.97 74.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 172.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.31 -33.53 69.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.196 -177.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.27 -32.21 69.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.3 pt -117.32 -9.88 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.2 -172.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.97 1.72 71.09 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.74 142.35 48.14 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.1 -12.7 68.9 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 80' ' ' ILE . 88.3 m -110.66 136.22 50.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.347 . . . . 0.0 111.209 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.8 -27.18 16.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.219 -170.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.429 ' H ' HG22 ' A' ' 78' ' ' THR . 11.0 tp -54.07 -23.47 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 -178.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.461 ' C ' HD12 ' A' ' 81' ' ' LEU . 3.7 pp -59.41 -24.32 63.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 -175.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -73.05 -40.08 65.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.173 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.29 -34.53 74.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.212 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.46 -44.11 89.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.01 -38.49 91.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -61.68 -40.2 94.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -61.79 -36.6 81.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 89.4 mt -60.26 -40.87 91.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.245 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.82 -41.19 95.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -62.22 -41.73 98.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.196 178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.33 -39.78 92.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.2 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.36 -44.91 84.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.59 -36.48 78.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.8 m -63.34 -39.45 94.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.177 178.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 87.6 mt -59.3 -37.93 78.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -90.86 0.85 57.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 -174.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -96.15 121.52 38.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 -173.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.057 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 178.021 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.644 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.4 p -69.29 155.93 39.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 0.0 111.199 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -122.68 -18.74 6.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.25 175.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 56.8 ttm -70.25 140.46 52.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 -172.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.91 70.21 0.98 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 69.7 p -97.76 11.11 38.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.79 0.329 . . . . 0.0 111.218 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.18 -42.73 95.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 -178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.94 -34.66 76.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.147 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.78 -47.08 79.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.225 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -65.06 -41.41 95.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -61.39 -40.5 94.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.281 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 72.5 m -61.61 -39.44 91.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.14 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.19 -42.49 86.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.235 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.48 -35.72 81.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -63.0 -40.87 99.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 175.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 77.1 mt -61.77 -39.5 91.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -58.29 -51.39 69.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.214 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -55.31 -48.54 73.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.306 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.99 -43.3 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.121 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 55.5 tp -57.79 -45.9 85.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.38 -38.97 85.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.276 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -65.41 -38.57 90.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 176.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 mt -62.29 -38.69 90.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 177.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.9 -37.97 86.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -77.03 -39.85 48.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -153.8 95.84 2.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 -176.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -80.25 60.64 7.92 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.785 1.657 . . . . 0.0 111.194 -175.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 94.4 p -76.77 158.74 30.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 -177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.56 -36.58 74.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.273 175.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.41 -48.84 79.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -67.23 -35.35 79.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.247 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.12 -49.04 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.223 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.68 -33.22 52.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.263 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.6 -36.18 78.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 173.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.4 -45.63 90.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.243 174.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.42 -46.45 95.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.25 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -50.81 -53.91 28.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 174.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.15 -38.74 84.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.2 mt -66.22 -46.28 87.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.51 -43.83 98.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.15 -40.27 97.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 176.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -63.07 -41.05 99.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 174.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -61.22 -36.24 79.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.227 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.62 87.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.252 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.81 -37.8 79.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.214 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 74.6 mt -61.92 -50.95 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.25 -45.45 98.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 -175.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -66.17 -39.76 90.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.03 97.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.58 -47.11 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -57.8 -42.59 84.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.189 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.31 95.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.402 HG21 ' CG2' ' A' ' 53' ' ' ILE . 96.4 mt -62.25 -40.5 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.1 t -57.78 -48.07 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.248 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -59.12 -42.15 89.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.14 -41.52 98.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.246 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -64.57 -38.07 89.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.265 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.53 -43.76 89.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.188 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -64.9 -42.54 94.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 176.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 78.7 mt -60.9 -50.21 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 71.3 t -62.8 -43.96 99.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 -177.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -63.92 -39.14 93.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.217 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -66.21 -37.47 85.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.76 -37.88 80.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.63 -42.4 99.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.311 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.23 -38.66 87.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.9 -44.09 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.221 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.65 -40.21 88.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.226 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.54 -39.78 85.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.86 87.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.235 174.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.2 -50.01 74.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.234 172.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.28 -33.59 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 -177.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.18 -32.21 69.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 47.6 pt -117.34 -9.85 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.195 -172.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.02 1.72 70.95 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.279 -0.729 . . . . 0.0 111.279 -178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.7 142.42 48.2 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -176.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.04 -12.64 69.03 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.431 HG22 ' H ' ' B' ' 80' ' ' ILE . 88.2 m -110.69 136.21 50.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 111.222 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.77 -27.28 17.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.159 -170.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.431 ' H ' HG22 ' B' ' 78' ' ' THR . 11.0 tp -54.05 -23.45 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 -177.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.47 ' C ' HD12 ' B' ' 81' ' ' LEU . 3.7 pp -59.45 -24.28 63.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.188 -175.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -73.13 -40.07 65.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.22 -34.68 75.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.36 -44.11 88.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 176.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.98 -38.55 91.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.198 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -61.69 -40.08 93.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -61.84 -36.59 81.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 89.8 mt -60.29 -40.9 92.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.24 177.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.76 -41.22 96.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.2 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.17 -41.81 98.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 92.0 mt -65.28 -39.8 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.214 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.28 -44.91 84.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.28 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.62 -36.53 78.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 69.0 m -63.24 -39.5 94.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.2 178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.23 -38.0 78.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.226 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -90.78 0.79 57.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.228 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -96.09 121.54 37.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 -173.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.052 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 178.1 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 94.8 p -69.26 155.92 39.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.843 0.354 . . . . 0.0 111.233 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -122.65 -18.79 6.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.254 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 56.8 ttm -70.17 140.43 52.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 -172.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.89 70.19 0.98 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 70.1 p -97.78 11.14 38.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.78 0.324 . . . . 0.0 111.196 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.25 -42.7 95.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.231 -178.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.92 -34.61 76.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.238 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 tp -64.87 -47.04 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.21 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -64.94 -41.52 95.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -61.42 -40.44 94.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.245 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 72.3 m -61.65 -39.42 91.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 57.2 tp -58.17 -42.51 86.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 177.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -63.52 -35.68 81.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -63.07 -40.77 98.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 77.2 mt -61.76 -39.53 91.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -58.17 -51.49 69.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.236 177.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -55.33 -48.62 73.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.225 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.92 -43.21 98.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 -178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 55.4 tp -57.83 -45.93 85.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.37 -39.01 85.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.234 178.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -65.36 -38.6 90.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 47.8 mt -62.23 -38.76 90.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.188 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.79 -37.92 86.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -77.19 -39.78 47.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 t-20 -153.82 95.76 2.81 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 -176.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -80.22 60.63 7.92 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.739 1.626 . . . . 0.0 111.19 -175.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 94.5 p -76.79 158.82 30.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.209 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.55 -36.63 74.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.229 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -58.42 -48.86 79.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 177.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -67.26 -35.27 79.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 76.5 mt -65.25 -49.07 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 -177.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.64 -33.29 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.221 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -68.5 -36.23 78.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 173.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.44 -45.58 91.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.264 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 93.0 mt -60.44 -46.48 95.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -50.75 -53.89 27.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 173.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.22 -38.65 84.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 78.8 mt -66.24 -46.36 87.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.44 -43.81 98.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.265 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.14 -40.25 97.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.188 176.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -63.14 -41.02 99.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 174.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' ASN . . . . . 0.408 HD22 HD13 ' A' ' 16' ' ' LEU . 91.6 m-20 -61.22 -36.27 79.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.97 -41.54 87.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -68.81 -37.82 79.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.179 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 74.5 mt -61.91 -50.97 77.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.161 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.2 -45.48 98.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 -175.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -66.24 -39.72 89.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -178.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.06 97.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.49 -47.14 92.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -57.85 -42.59 84.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.25 -44.38 95.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.174 -179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.405 ' CG2' HG21 ' A' ' 53' ' ' ILE . 96.3 mt -62.16 -40.49 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.265 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 61.6 t -57.82 -48.11 84.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 175.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -59.08 -42.04 89.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.291 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -62.21 -41.59 98.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.22 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -64.46 -38.11 89.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.229 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.69 89.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.158 175.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -64.92 -42.45 94.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.278 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 79.0 mt -60.94 -50.18 81.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.91 -43.92 99.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -63.85 -39.15 93.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.221 176.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.33 -37.4 85.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -59.73 -37.84 80.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.249 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.68 -42.4 99.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.261 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.21 -38.65 87.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.95 -44.11 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 92.9 mt -64.66 -40.14 88.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.63 -39.65 85.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.205 175.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.91 87.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 174.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 13.1 mt -61.22 -49.99 74.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.187 172.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -58.24 -33.54 69.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.271 -177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.29 -32.16 69.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 47.4 pt -117.38 -9.89 11.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.207 -172.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.99 1.74 71.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.75 142.39 48.16 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -176.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.1 -12.67 68.97 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.426 HG22 ' H ' ' C' ' 80' ' ' ILE . 87.9 m -110.72 136.22 50.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 111.188 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.75 -27.33 17.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -170.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' ILE . . . . . 0.426 ' H ' HG22 ' C' ' 78' ' ' THR . 11.0 tp -54.03 -23.36 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -177.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . 0.461 HD12 ' C ' ' C' ' 81' ' ' LEU . 3.7 pp -59.49 -24.33 63.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -175.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -73.07 -39.96 65.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -69.3 -34.61 74.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.207 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 66.1 mtt -58.46 -44.09 89.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 176.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -64.0 -38.52 91.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -61.56 -40.19 93.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.231 176.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -61.81 -36.68 81.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.179 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.21 -40.84 91.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.275 177.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.84 -41.19 95.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.185 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.25 -41.73 98.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 92.4 mt -65.32 -39.78 92.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.258 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.28 -44.93 84.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.312 175.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.56 -36.54 78.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 68.9 m -63.3 -39.46 94.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.195 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 88.0 mt -59.29 -37.93 78.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -90.83 0.81 57.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 -174.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 54.3 ttt85 -96.09 121.54 37.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.174 -173.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.044 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 178.043 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.546 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.0 p -65.35 -25.61 67.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 111.282 -177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -125.81 -64.28 1.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 172.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.6 ptm -164.46 157.33 17.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 165.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.22 132.96 7.8 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 172.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.488 ' HB ' ' HE ' ' C' ' 51' ' ' ARG . 60.3 p -70.85 -18.65 62.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.687 0.28 . . . . 0.0 111.199 -177.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.76 -32.12 72.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.215 175.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.11 -31.64 72.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.277 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.2 mt -67.16 -41.13 86.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.264 175.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.92 -43.36 79.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 174.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -52.82 -43.17 65.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.249 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.419 ' HA ' ' HE ' ' A' ' 15' ' ' ARG . 69.0 m -56.32 -43.44 78.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 177.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.84 -38.76 92.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.17 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.43 -37.59 85.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HE ' ' HA ' ' A' ' 12' ' ' SER . 74.0 mtm180 -62.68 -41.35 99.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.229 175.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.61 -38.38 90.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.234 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -54.71 -52.33 62.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -57.01 -44.04 82.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.246 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 92.0 mt -59.68 -44.45 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.237 178.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.82 -42.43 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.158 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.35 -41.55 98.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.234 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.18 -42.42 93.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 175.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.51 -49.32 75.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.249 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.61 -43.1 99.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 -174.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.52 -41.73 96.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -137.98 80.29 30.4 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -57.96 141.73 96.24 Favored 'Trans proline' 0 C--N 1.327 -0.571 0 C-N-CA 121.667 1.578 . . . . 0.0 111.209 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 86.3 p -162.19 153.12 17.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.191 175.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.7 -37.6 73.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.236 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -59.22 -53.02 63.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -71.64 -31.56 66.98 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.049 -174.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.8 -48.77 86.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.778 0.323 . . . . 0.0 111.197 177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.62 -45.35 97.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.71 -41.33 98.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.29 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.12 99.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.87 -46.23 96.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.26 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.88 -45.92 89.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 175.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.4 -41.43 84.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.21 -175.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -58.2 -45.68 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.291 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 80.7 t -66.61 -43.07 90.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.233 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.45 -35.13 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -79.17 -39.82 32.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 177.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.411 ' O ' HG12 ' A' ' 46' ' ' ILE . 90.6 m-20 -58.32 -34.37 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 177.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.83 -32.1 51.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.285 177.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -78.77 -36.31 43.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.202 -175.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 43' ' ' ASN . 4.7 pt -79.96 -28.88 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 -177.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.84 -39.3 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -63.17 -36.99 85.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 175.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.35 -31.72 72.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.181 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 92.4 mt -68.83 -48.22 71.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 171.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.492 ' HE ' ' HB ' ' B' ' 6' ' ' THR . 71.6 mtp180 -63.25 -47.88 80.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.157 -175.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.8 -35.44 72.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.158 -174.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 96.9 mt -72.26 -36.66 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.162 -176.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.23 -45.04 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 173.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.76 -40.35 97.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.249 176.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -58.24 -48.09 81.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.194 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.428 ' HA ' HD22 ' A' ' 57' ' ' ASN . 7.1 m120 -53.98 -47.23 71.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.1 -42.35 85.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -69.1 -38.84 79.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.53 -45.41 98.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.223 -179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.64 -45.54 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.183 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -63.12 -39.34 94.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.262 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.45 -42.41 92.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -60.48 -43.24 97.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -63.11 -42.4 99.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.246 177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.61 -41.24 89.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 92.4 mt -61.46 -46.48 96.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.232 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.89 -45.79 97.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.305 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.55 -39.1 82.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.213 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.52 -41.51 97.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.35 -39.08 93.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.72 -40.03 84.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 174.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.4 -37.34 80.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -177.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.5 tt -86.86 1.59 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.03 19.8 60.45 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.73 16.26 56.33 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.91 148.44 43.05 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -173.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 47.4 p -132.64 168.74 17.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.423 ' NZ ' ' OE2' ' A' ' 83' ' ' GLU . 66.1 tttm -54.16 -45.87 72.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 173.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.26 -46.68 95.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.4 mt -60.63 -42.5 97.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -177.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.86 -46.02 85.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.247 176.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.423 ' OE2' ' NZ ' ' A' ' 79' ' ' LYS . 97.0 mt-10 -61.35 -41.77 97.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.24 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 37.6 mmt -62.77 -43.03 99.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -57.0 -47.75 80.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 177.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.15 -40.87 86.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.162 -177.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.47 -41.63 88.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 67.3 mt -63.44 -40.79 98.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.22 -50.0 73.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 176.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.61 -34.57 75.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 -178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.0 tp -49.2 -39.48 29.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -56.07 -28.39 57.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.231 -172.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -63.81 -22.52 66.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.203 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.6 p -108.21 2.92 23.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.232 -173.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 67.9 mt -95.23 146.24 24.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.225 -176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -58.67 133.41 55.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.225 166.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -163.94 150.37 11.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.202 -171.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.968 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 177.476 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.4 p -65.47 -25.54 67.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 111.245 -177.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -125.85 -64.17 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.243 172.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 28.6 ptm -164.5 157.34 17.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 165.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.18 132.93 7.8 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.492 ' HB ' ' HE ' ' A' ' 51' ' ' ARG . 59.4 p -70.75 -18.75 62.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 0.0 111.222 -177.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.79 -32.04 72.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.216 175.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.1 -31.68 72.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.244 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -67.14 -41.14 86.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.283 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.97 -43.23 79.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.182 174.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -52.99 -43.05 66.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . 0.422 ' HA ' ' HE ' ' B' ' 15' ' ' ARG . 68.7 m -56.46 -43.37 79.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 177.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.8 -38.7 91.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.278 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.46 -37.62 85.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.422 ' HE ' ' HA ' ' B' ' 12' ' ' SER . 74.0 mtm180 -62.62 -41.39 98.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.255 175.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.63 -38.36 90.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.238 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -54.62 -52.45 62.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -56.89 -44.15 82.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 92.0 mt -59.75 -44.39 93.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.75 -42.52 97.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.19 -41.7 98.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.267 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.15 -42.41 93.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 175.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.0 tp -62.51 -49.4 75.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.183 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.51 -43.07 99.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.28 -174.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.63 -41.63 96.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.227 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -138.09 80.31 29.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -57.93 141.76 96.19 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.673 1.582 . . . . 0.0 111.181 -178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 86.2 p -162.26 153.14 17.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 175.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.76 -37.62 73.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -59.2 -53.0 63.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -71.6 -31.55 67.04 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.066 -174.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 72.8 mt -59.82 -48.86 86.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.814 0.34 . . . . 0.0 111.179 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.52 -45.41 97.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.58 -41.41 98.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.27 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.1 99.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.247 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.2 mt -61.83 -46.28 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.247 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.84 -45.92 88.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.164 175.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.42 -41.41 84.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -175.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.16 -45.8 88.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.63 -43.03 90.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.44 -35.13 75.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.215 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -79.11 -39.9 32.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.198 177.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.409 ' O ' HG12 ' B' ' 46' ' ' ILE . 90.6 m-20 -58.35 -34.37 70.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 177.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.75 -32.19 51.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.256 177.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -78.79 -36.33 42.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -175.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.409 HG12 ' O ' ' B' ' 43' ' ' ASN . 4.7 pt -79.93 -28.85 12.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.274 -178.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.85 -39.29 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.196 175.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -63.1 -37.05 85.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -31.61 72.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.198 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 92.3 mt -68.84 -48.2 72.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.199 171.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.484 ' HE ' ' HB ' ' C' ' 6' ' ' THR . 71.6 mtp180 -63.32 -47.82 80.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.184 -175.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.74 -35.52 72.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.163 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 96.9 mt -72.2 -36.67 56.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -176.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.5 t -52.23 -45.0 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.231 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.7 -40.46 97.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 176.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -58.21 -48.08 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.256 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -53.96 -47.25 71.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.04 -42.47 85.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -68.96 -38.95 79.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 78.5 mt -62.45 -45.46 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.56 -45.55 96.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.231 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -63.13 -39.44 94.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.255 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.35 -42.5 92.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.166 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -60.48 -43.16 97.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.227 178.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -63.12 -42.45 99.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.233 177.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.24 89.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.201 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.47 -46.44 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.278 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.99 -45.79 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.195 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.61 -39.04 82.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.2 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.54 97.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 175.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 90.5 mt -63.41 -39.02 93.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -67.77 -39.97 84.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.205 174.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.25 80.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 -177.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 15.4 tt -86.9 1.61 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.241 -176.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.03 19.77 60.5 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.71 16.23 56.39 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.94 148.44 43.0 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -173.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 47.5 p -132.65 168.69 17.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.849 0.356 . . . . 0.0 111.205 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -54.15 -45.81 72.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.215 173.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.36 -46.56 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.7 mt -60.65 -42.55 97.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.82 -46.04 85.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.18 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.38 -41.77 97.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.212 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 37.6 mmt -62.77 -43.09 99.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.165 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -56.87 -47.8 79.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.197 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.09 -40.89 87.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.46 -41.67 88.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.45 -40.74 97.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.225 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.21 -50.04 73.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.69 -34.42 75.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 tp -49.35 -39.43 31.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -55.95 -28.52 57.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -172.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -63.74 -22.51 66.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 98.3 p -108.17 2.83 23.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.284 -173.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 67.7 mt -95.19 146.25 24.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 -176.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.61 133.5 55.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.185 166.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -164.1 150.32 11.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.181 -171.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.955 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 177.514 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.592 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 93.4 p -65.45 -25.53 67.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 0.0 111.261 -177.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -125.86 -64.21 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.197 172.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 28.6 ptm -164.48 157.25 17.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.217 166.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . 103.21 132.93 7.79 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 172.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . 0.484 ' HB ' ' HE ' ' B' ' 51' ' ' ARG . 60.5 p -70.82 -18.73 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.769 0.318 . . . . 0.0 111.157 -177.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.64 -32.17 72.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.242 175.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.09 -31.7 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.12 -41.17 86.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.294 175.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -67.96 -43.23 79.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 174.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -53.0 -43.05 66.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.421 ' HA ' ' HE ' ' C' ' 15' ' ' ARG . 68.7 m -56.41 -43.42 79.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 177.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 92.5 mt -62.79 -38.78 92.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.37 -37.58 85.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.238 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . 0.421 ' HE ' ' HA ' ' C' ' 12' ' ' SER . 74.0 mtm180 -62.73 -41.37 99.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 175.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.59 -38.37 90.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 177.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -54.61 -52.49 62.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.229 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -56.81 -44.24 81.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 91.7 mt -59.7 -44.39 93.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.191 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 98.4 mt -63.81 -42.39 97.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.34 -41.63 98.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.198 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.19 -42.35 93.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 175.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.59 -49.4 75.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -62.6 -43.03 99.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.18 -174.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.67 -41.61 95.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -138.01 80.29 30.18 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 -178.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -57.94 141.78 96.23 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.662 1.575 . . . . 0.0 111.179 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 86.4 p -162.19 153.16 17.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.77 -37.54 73.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -59.33 -52.94 63.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.118 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -71.67 -31.54 66.92 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.038 -174.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.81 -48.76 86.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.786 0.327 . . . . 0.0 111.262 177.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.57 -45.37 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.263 178.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.68 -41.31 98.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.268 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.11 99.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.205 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.98 -46.19 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.232 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.78 -46.02 88.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.143 175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.42 -41.24 84.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.296 -175.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 78.6 mt -58.35 -45.72 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.214 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 80.2 t -66.66 -43.03 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.51 -35.18 75.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -79.04 -39.82 32.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -58.46 -34.32 70.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -53.87 -32.19 52.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 177.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -78.67 -36.34 43.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.24 -175.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 pt -80.0 -28.81 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.279 -177.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.88 -39.23 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.207 175.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -63.1 -37.07 85.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 175.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.43 -31.7 72.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 174.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 92.1 mt -68.86 -48.15 72.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 171.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' ARG . . . . . 0.488 ' HE ' ' HB ' ' A' ' 6' ' ' THR . 71.6 mtp180 -63.28 -47.89 80.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -175.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.7 -35.53 72.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 -174.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 96.9 mt -72.21 -36.71 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 -176.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 55.6 t -52.12 -45.1 41.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 173.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.76 -40.37 97.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 176.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -58.25 -48.04 81.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' ASN . . . . . 0.485 HD22 ' HA ' ' C' ' 57' ' ' ASN . 7.1 m120 -54.01 -47.21 71.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.239 179.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.11 -42.36 85.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -69.09 -38.92 79.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 78.8 mt -62.49 -45.34 99.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.262 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.67 -45.53 97.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -63.12 -39.44 94.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.299 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -65.35 -42.49 92.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -60.46 -43.2 97.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 178.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -63.16 -42.4 99.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.22 177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.62 -41.29 90.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 92.5 mt -61.41 -46.44 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.245 176.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.04 -45.68 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.261 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.67 -39.04 83.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.193 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.47 -41.56 97.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 175.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.36 -39.0 93.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.245 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.72 -40.03 84.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 174.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.45 -37.21 80.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.268 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 15.4 tt -86.89 1.52 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.19 -176.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.03 19.86 60.35 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 177.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -101.78 16.3 56.22 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.92 148.41 42.98 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -173.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 47.5 p -132.63 168.74 17.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 111.238 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . 0.412 ' NZ ' ' OE2' ' C' ' 83' ' ' GLU . 66.1 tttm -54.1 -45.97 71.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 173.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.17 -46.66 95.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.219 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.62 -42.53 97.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.87 -46.02 85.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.229 176.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . 0.412 ' OE2' ' NZ ' ' C' ' 79' ' ' LYS . 97.1 mt-10 -61.35 -41.84 97.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.194 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 37.6 mmt -62.74 -43.01 99.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt -57.0 -47.75 80.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -67.1 -40.84 87.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.225 -177.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.5 -41.63 88.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.215 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.49 -40.74 97.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.237 178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.28 -50.02 73.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 176.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.51 -34.47 75.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.26 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 tp -49.42 -39.32 32.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.219 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -56.06 -28.5 57.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 -172.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -63.7 -22.51 66.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -176.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 98.0 p -108.19 2.88 23.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.24 -173.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 67.8 mt -95.15 146.24 24.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.252 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -58.64 133.46 55.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 166.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -164.03 150.38 11.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.171 -171.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.972 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.532 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.614 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.7 t -145.38 106.66 4.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 111.23 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -169.13 167.38 10.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.193 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 58.9 ttm -87.6 129.35 35.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.208 168.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.5 -152.63 24.38 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -176.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.4 p -113.55 -14.72 12.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.345 . . . . 0.0 111.219 -178.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.29 -47.65 72.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.209 178.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.75 -38.51 81.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.11 -39.8 94.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.248 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -62.21 -39.67 93.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -64.07 -40.33 96.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.154 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -63.34 -38.29 90.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.155 178.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.07 -39.15 88.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.279 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.96 -36.62 84.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -66.24 -41.94 89.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.15 -39.65 93.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -60.78 -49.93 75.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 174.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -52.08 -50.01 62.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.195 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.12 -45.54 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.271 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.3 -46.69 82.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.211 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -59.63 -43.43 93.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.17 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.2 -37.79 86.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.249 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.6 -50.17 73.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.278 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.26 -41.05 94.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.231 -176.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.19 -39.19 92.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.176 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -146.92 84.95 7.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -55.25 136.16 72.2 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.785 1.657 . . . . 0.0 111.161 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 95.0 p -161.78 155.51 21.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.57 -38.23 77.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.215 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.08 -51.74 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.228 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.9 -34.5 76.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 -176.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.5 mt -63.52 -48.35 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.268 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.24 -45.17 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -66.5 -35.64 80.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.25 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.7 -49.66 76.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.252 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.77 -44.96 98.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 178.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -50.22 -56.15 12.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 173.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.85 84.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 -176.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.37 -47.04 91.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.51 -44.49 98.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.76 -40.82 98.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.201 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -63.16 -44.95 94.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -58.86 -41.11 86.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.72 -41.09 85.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.04 -39.91 90.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 178.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 91.8 mt -62.44 -47.76 91.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.214 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.0 -45.71 98.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -65.93 -35.71 81.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.87 -53.07 61.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 pt -70.97 -28.03 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 -175.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -62.05 -48.33 80.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.227 175.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.6 96.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.5 mt -60.08 -44.26 94.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.207 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.06 -43.7 93.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -62.01 -41.26 97.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.251 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.95 -39.87 95.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.241 175.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.16 -37.82 88.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.99 -39.08 80.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.27 -39.3 94.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.064 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.03 -41.13 91.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 175.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.75 -45.65 94.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.7 -43.83 90.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.285 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -57.56 -46.8 83.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.223 174.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.41 -39.44 83.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.195 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -59.09 -47.81 83.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 175.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.64 -37.27 80.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.278 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.7 mt -60.13 -44.93 96.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.157 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.61 -44.3 99.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.182 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.56 -40.85 96.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.221 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.48 -42.45 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.161 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.0 mt -59.28 -42.99 92.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.231 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -63.21 -36.89 85.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.52 91.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.7 pt -106.52 -23.14 4.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 -169.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.44 22.96 4.1 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -174.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.64 146.31 38.23 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.6 -19.36 52.81 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 88.5 m -62.06 130.31 44.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 111.231 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.88 -42.86 72.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.23 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 42.3 mm -57.71 -41.54 79.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.231 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.9 mt -68.5 -36.61 79.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.261 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -61.1 -36.06 78.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.32 -36.31 58.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 82.9 mtp -61.06 -29.07 69.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.14 -25.99 62.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.259 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -75.31 -44.09 47.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.155 174.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.2 -30.65 71.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.199 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.523 ' O ' HD23 ' A' ' 88' ' ' LEU . 10.3 tt -57.83 -29.11 64.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.249 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.08 -45.28 92.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.88 -35.94 72.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.177 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.03 -51.54 69.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.285 175.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.86 -37.66 77.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 -176.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.26 -22.71 66.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -175.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.3 m -76.8 -2.16 31.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -176.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 93.4 mt -82.49 -7.25 59.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.222 176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.41 132.44 52.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.249 178.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -100.9 156.45 17.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.218 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.944 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 176.807 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -145.3 106.69 4.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 111.209 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -169.22 167.29 10.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.204 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 58.9 ttm -87.55 129.33 35.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 168.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.51 -152.61 24.35 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 67.0 p -113.58 -14.7 12.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 111.133 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.26 -47.64 72.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.248 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.77 -38.58 82.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.06 -39.85 94.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -62.18 -39.76 93.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 22.8 m-30 -63.96 -40.34 96.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.976 0.417 . . . . 0.0 111.224 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -63.37 -38.27 90.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.09 -39.23 89.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.208 178.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -64.93 -36.55 84.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -66.31 -41.93 88.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.2 175.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -62.17 -39.62 93.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -60.77 -49.91 75.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.207 174.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -52.11 -50.02 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.03 -45.61 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.279 -178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 56.7 tp -57.31 -46.63 83.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.17 -177.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.73 -43.32 94.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.229 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.26 -37.78 86.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.223 176.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 60.3 tp -61.63 -50.21 73.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.298 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.14 -41.14 95.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.263 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.07 -39.32 93.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.188 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -146.83 84.91 7.3 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.185 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -55.24 136.15 72.16 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.679 1.586 . . . . 0.0 111.204 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 95.6 p -161.75 155.59 21.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.2 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.54 -38.34 77.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.94 -51.86 67.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.91 -34.43 76.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -176.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.1 mt -63.56 -48.4 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.234 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.11 -45.3 96.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.43 -35.59 80.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 -179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.82 -49.64 76.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.21 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.75 -44.99 98.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.193 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -50.23 -56.17 12.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.97 84.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.0 mt -64.29 -47.11 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.191 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.43 -44.5 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.243 179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.76 -40.85 98.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.201 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -63.09 -44.96 94.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -58.77 -41.25 86.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.64 -41.11 85.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.216 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -66.11 -39.83 90.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.49 -47.79 91.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.158 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 72.0 t -63.01 -45.59 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.202 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -66.05 -35.7 81.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.81 -53.09 61.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 41.0 pt -71.04 -27.88 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.216 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -62.18 -48.27 80.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.238 175.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.66 96.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 176.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.09 -44.3 94.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.07 -43.7 93.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.204 177.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 51.2 tp10 -61.89 -41.37 97.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.312 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.84 -39.81 95.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.286 175.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.31 -37.7 88.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.04 -39.06 80.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.231 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.3 -39.25 94.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.109 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.95 -41.12 91.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.214 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 51.6 t -59.73 -45.65 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.22 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -58.68 -43.85 90.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.273 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -57.56 -46.82 83.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 174.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -59.39 -39.5 83.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -58.96 -47.79 83.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.271 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.19 81.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.219 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 67.4 mt -60.12 -44.96 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.66 -44.23 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.175 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.54 -40.82 96.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.236 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.49 -42.47 98.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 52.3 mt -59.23 -43.05 92.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -63.19 -36.88 85.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.83 -38.55 91.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.227 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 39.2 pt -106.43 -23.24 4.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 -169.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.38 22.95 4.11 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -174.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.53 146.29 37.85 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -175.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.5 -19.27 53.28 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 88.7 m -62.12 130.28 44.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.795 0.331 . . . . 0.0 111.271 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.8 -43.03 72.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.162 -177.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 42.1 mm -57.6 -41.58 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.19 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.48 -36.66 79.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.23 -177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.01 -36.15 78.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.3 -36.32 58.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 176.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 82.8 mtp -61.02 -29.05 69.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 178.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -58.18 -26.0 62.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.188 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -75.21 -44.2 47.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.219 174.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.16 -30.62 71.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.208 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.526 HD23 ' O ' ' B' ' 88' ' ' LEU . 10.3 tt -57.83 -29.12 64.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.303 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.07 -45.33 92.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.144 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.89 -35.93 72.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.16 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 56.5 tp -58.04 -51.48 69.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 175.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.93 -37.63 77.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 -176.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.3 -22.72 66.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.137 -175.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 75.1 m -76.75 -2.16 31.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -176.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 93.5 mt -82.47 -7.32 59.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.235 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -62.4 132.45 52.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.239 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -100.98 156.5 17.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.935 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 176.889 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 46.0 t -145.25 106.68 4.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 111.289 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 54.0 p-80 -169.2 167.32 10.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.222 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 58.9 ttm -87.64 129.39 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.204 168.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.51 -152.63 24.37 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -176.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.3 p -113.5 -14.75 12.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.34 . . . . 0.0 111.24 -178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.13 -47.74 71.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.224 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.76 -38.55 82.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.09 -39.79 94.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -62.25 -39.66 93.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -64.14 -40.18 95.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.22 176.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 57.7 m -63.44 -38.25 90.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 81.4 mt -61.08 -39.2 88.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -65.02 -36.49 84.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -66.26 -41.96 89.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.247 175.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 75.8 mt -62.17 -39.7 93.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.3 ttp85 -60.76 -49.83 75.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -52.24 -49.93 63.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.05 -45.66 83.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.206 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 56.6 tp -57.36 -46.57 83.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -177.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -59.72 -43.25 94.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.265 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.31 -37.76 86.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.193 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.72 -50.21 73.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.237 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.09 -41.17 95.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.225 -176.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.1 -39.2 92.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -146.95 84.86 7.25 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.152 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -55.24 136.18 72.24 Favored 'Trans proline' 0 C--N 1.327 -0.57 0 C-N-CA 121.688 1.592 . . . . 0.0 111.193 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 95.4 p -161.83 155.6 21.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.58 -38.23 77.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.251 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.05 -51.81 68.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.162 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -67.89 -34.5 76.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 80.2 mt -63.53 -48.41 87.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 53.0 t -64.23 -45.11 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.225 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -66.52 -35.61 80.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.266 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.6 76.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.28 173.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.78 -45.02 98.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 178.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -50.18 -56.08 12.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.29 173.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.99 -37.93 84.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 -176.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.37 -47.02 91.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.23 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.42 -44.6 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.68 -40.82 98.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.26 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -63.16 -44.97 93.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -58.72 -41.15 85.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.193 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.67 -41.19 85.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.21 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -66.02 -39.82 90.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.253 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 91.9 mt -62.45 -47.84 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.88 -45.68 98.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.265 -178.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -66.09 -35.66 81.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.09 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.88 -53.02 62.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.226 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 41.1 pt -71.06 -27.9 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 -175.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -62.27 -48.21 80.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.164 175.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.63 96.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.0 -44.33 94.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.18 179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 40.6 t -60.01 -43.78 93.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.203 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -61.92 -41.33 97.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.256 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.81 -39.95 95.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.268 175.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.16 -37.7 88.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.04 80.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.31 -39.28 94.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.87 -41.24 91.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.208 175.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 51.7 t -59.68 -45.63 94.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -58.7 -43.92 90.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.273 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -57.53 -46.85 83.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.241 174.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.29 -39.48 83.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.268 -178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -59.07 -47.72 84.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.247 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.09 80.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.367 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.23 -44.9 96.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.121 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.72 -44.17 99.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.198 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.57 -40.85 96.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.38 98.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 52.7 mt -59.25 -43.05 92.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.189 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -63.32 -36.78 84.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.52 91.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 39.4 pt -106.53 -23.12 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.173 -169.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.42 22.95 4.1 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -57.61 146.38 38.0 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.5 -19.37 52.88 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 88.8 m -62.07 130.4 45.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.84 0.352 . . . . 0.0 111.179 177.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -54.99 -42.92 73.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.141 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 42.3 mm -57.58 -41.6 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.233 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.45 -36.65 79.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.265 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -61.01 -36.14 78.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.171 -178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -76.28 -36.38 58.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 176.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 83.0 mtp -60.98 -29.07 69.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -58.18 -25.99 62.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -75.14 -44.26 47.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 174.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -63.12 -30.64 71.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 88' ' ' LEU . . . . . 0.505 ' O ' HD23 ' C' ' 88' ' ' LEU . 10.3 tt -57.88 -29.07 64.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.237 179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.12 -45.29 92.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.79 -35.94 72.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.213 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 56.6 tp -58.03 -51.57 69.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.223 175.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.81 -37.7 76.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.228 -176.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.28 -22.63 66.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -175.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 75.2 m -76.85 -2.13 31.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -176.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 93.1 mt -82.59 -7.21 59.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 176.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -62.44 132.44 52.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -100.92 156.49 17.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.236 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.949 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 176.857 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.9 p -65.04 -18.98 65.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.788 0.328 . . . . 0.0 111.201 -173.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -114.34 22.55 13.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 -179.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.2 ttt -65.52 145.55 55.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.26 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.02 -152.89 29.79 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.9 p -115.34 -23.96 8.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.798 0.332 . . . . 0.0 111.193 -179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -87.4 -6.9 58.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.225 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -58.69 -38.55 78.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.02 -40.97 99.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -61.79 -48.37 80.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.248 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -62.97 -38.45 91.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -62.37 -42.41 99.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.229 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.04 -39.55 92.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.183 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.66 -39.62 94.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.166 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -68.98 -38.0 79.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.223 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.38 -41.3 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.39 -49.81 76.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 173.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -53.42 -50.11 65.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.64 -45.15 89.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.52 -47.48 81.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.176 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.78 -42.3 93.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.24 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.38 -38.37 87.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.73 -49.97 74.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.221 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.31 -41.16 96.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -175.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.95 -42.33 76.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -138.11 80.63 28.66 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -54.28 135.49 65.27 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.736 1.624 . . . . 0.0 111.2 -179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.1 p -163.17 156.19 19.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.47 -38.4 77.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.199 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.09 -52.5 65.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 179.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -67.06 -34.1 76.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.277 -176.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -63.61 -48.97 84.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.1 t -64.34 -44.13 97.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.179 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.64 -37.94 89.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.08 -49.22 78.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.162 174.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.81 -44.68 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.179 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -53.1 -54.63 32.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 175.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.67 -37.54 81.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -64.47 -47.16 90.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.87 -43.65 96.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.19 -41.91 98.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -63.0 -43.61 98.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -59.07 -41.65 88.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.197 178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.01 91.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.202 176.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -64.71 -41.52 95.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.5 mt -60.64 -50.47 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.2 t -64.01 -42.71 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.181 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -59.26 -48.17 82.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.24 -41.48 93.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.0 mt -61.26 -41.23 88.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -47.82 -52.38 19.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.212 173.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.61 85.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.78 -44.29 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.91 -42.58 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.34 -41.22 96.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.05 -48.63 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 172.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.28 -38.28 83.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.211 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.16 95.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -64.59 -37.63 88.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.247 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.466 HG23 HD21 ' C' ' 64' ' ' ASN . 79.9 mt -62.21 -43.46 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.23 -44.36 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.1 -36.93 85.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.213 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.64 -43.93 95.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.205 175.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.458 HD21 HG23 ' B' ' 60' ' ' ILE . 93.6 m-20 -56.33 -45.89 80.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.224 176.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -55.62 -50.87 68.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.09 -39.49 82.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.175 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 92.7 mt -63.93 -46.96 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.18 -42.96 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.225 -178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.64 -43.7 98.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 176.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.21 -39.24 94.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.226 174.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.54 -49.66 76.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.32 -41.57 89.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.173 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.32 -36.18 72.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 -175.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 pt -101.91 5.85 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.209 -178.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.23 -118.47 1.99 Allowed Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 -173.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.36 -177.25 45.21 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.63 126.6 9.96 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.1 p -134.29 162.29 32.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.153 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' NZ ' ' OE2' ' A' ' 83' ' ' GLU . 65.3 tttm -55.52 -44.85 77.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 172.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.44 -42.54 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.72 -49.12 66.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.235 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.11 -46.99 78.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' OE2' ' NZ ' ' A' ' 79' ' ' LYS . 97.8 mt-10 -62.28 -39.81 94.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 -178.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 72.3 mtm -64.17 -41.29 97.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.87 -33.44 75.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.235 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.63 -39.42 88.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 172.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -64.23 -35.57 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.157 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.7 mt -58.36 -39.36 79.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.26 177.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.52 -44.35 96.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.48 -42.08 96.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 81.6 mt -64.47 -39.28 93.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.162 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -72.02 -45.58 60.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -60.89 -31.18 70.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 73.0 m -72.12 -9.29 58.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 88.4 mt -95.99 -3.5 44.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.216 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -67.17 145.69 55.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.173 -175.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -76.35 155.66 33.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.966 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 177.137 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.2 p -64.95 -18.93 65.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.81 0.338 . . . . 0.0 111.261 -173.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -114.47 22.61 13.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 22.2 ttt -65.5 145.5 56.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.96 -152.88 29.77 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 174.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 80.6 p -115.34 -23.97 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 111.165 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -87.37 -6.99 58.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.208 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.64 -38.55 78.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 -175.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.96 -41.0 99.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.219 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' B' ' 14' ' ' GLU . 64.4 tttm -61.74 -48.42 80.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -62.99 -38.43 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.131 -176.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -62.37 -42.41 99.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.211 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.03 -39.55 92.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.205 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' B' ' 10' ' ' LYS . 98.5 mt-10 -62.71 -39.56 94.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 177.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -68.98 -38.05 79.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 177.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 61.5 mt -62.3 -41.3 98.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.236 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.44 -49.82 76.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.19 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -53.33 -50.2 65.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.178 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.6 -45.11 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.25 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.54 -47.46 81.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 -177.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.72 -42.38 92.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.38 -38.41 87.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 175.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.67 -50.03 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.25 -41.18 97.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 -175.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.96 -42.32 76.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -138.05 80.6 29.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -54.25 135.53 65.29 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.719 1.613 . . . . 0.0 111.196 -179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.3 p -163.21 156.2 18.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.247 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.44 -38.39 77.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.186 177.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.18 -52.46 65.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -67.04 -34.12 77.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.264 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.63 -49.0 84.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 58.6 t -64.27 -44.18 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.184 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.65 -37.92 89.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.02 -49.22 78.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 174.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.83 -44.7 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.187 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -53.05 -54.6 33.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 175.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.57 82.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.4 -47.21 90.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.201 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.86 -43.62 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.12 -41.97 98.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.199 176.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -63.0 -43.55 98.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.206 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -59.16 -41.55 88.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 178.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.01 92.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.207 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -64.73 -41.48 95.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.56 -50.53 80.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.98 -42.71 96.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -59.28 -48.14 82.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.154 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.46 93.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.19 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 67.8 mt -61.27 -41.22 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.188 -178.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -47.76 -52.42 18.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 173.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.72 -38.57 85.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.78 -44.29 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.195 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.89 -42.66 97.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.24 -41.26 96.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.192 177.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.03 -48.61 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.155 172.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.37 -38.24 83.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.203 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.31 -42.14 94.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.248 177.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -64.7 -37.56 87.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.243 177.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . 0.458 HG23 HD21 ' A' ' 64' ' ' ASN . 80.1 mt -62.23 -43.45 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.13 -44.43 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 178.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.08 -36.97 86.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.197 177.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.65 -43.84 95.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.236 175.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.457 HD21 HG23 ' C' ' 60' ' ' ILE . 93.6 m-20 -56.39 -45.89 80.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 176.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -55.6 -50.9 68.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 176.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.11 -39.46 82.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.154 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.97 -46.97 92.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.11 -43.0 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.198 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.64 -43.63 98.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.22 -39.3 94.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.52 -49.64 76.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.36 -41.5 89.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.19 175.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.38 -36.2 73.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.194 -175.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 pt -101.88 5.87 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.229 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.23 -118.47 1.99 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -173.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.36 -177.23 45.2 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.62 126.54 9.94 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 60.7 p -134.28 162.29 32.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.356 . . . . 0.0 111.146 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . 0.434 ' NZ ' ' OE2' ' B' ' 83' ' ' GLU . 65.3 tttm -55.48 -44.82 76.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.227 172.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.48 -42.59 96.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 58.1 tp -52.7 -49.08 66.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.272 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -56.18 -46.98 79.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.166 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.434 ' OE2' ' NZ ' ' B' ' 79' ' ' LYS . 97.8 mt-10 -62.29 -39.79 94.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.235 -178.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 72.3 mtm -64.16 -41.21 97.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 -178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.91 -33.46 75.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.217 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.57 -39.45 88.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 172.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.2 -35.56 81.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 178.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.45 -39.34 79.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.51 -44.29 96.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.215 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.56 -42.06 95.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.46 -39.25 93.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.189 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -72.13 -45.49 60.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.168 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -60.93 -31.18 70.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 73.0 m -72.18 -9.2 58.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -176.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 88.4 mt -96.0 -3.56 44.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.229 -178.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -67.19 145.7 54.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.219 -175.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -76.32 155.7 34.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.213 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.961 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 177.144 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.611 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -64.95 -18.99 65.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.222 -173.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -114.38 22.55 13.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 22.2 ttt -65.49 145.5 56.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.228 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.02 -152.89 29.8 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 174.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 80.6 p -115.32 -23.97 8.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.746 0.308 . . . . 0.0 111.187 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -87.39 -6.98 58.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.65 -38.6 78.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 -175.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 89.8 mt -62.91 -41.02 99.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.21 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -61.81 -48.37 80.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.213 178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -62.91 -38.48 91.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 57.9 m -62.39 -42.42 99.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.219 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.96 -39.6 92.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.226 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.6 -39.65 94.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.173 177.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -68.96 -38.12 79.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.3 -41.33 98.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -59.39 -49.82 76.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.23 173.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -53.4 -50.08 65.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.197 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.73 -45.09 88.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 58.1 tp -57.53 -47.43 82.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.207 -177.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.79 -42.35 93.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.4 -38.37 87.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.74 -50.03 74.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -64.25 -41.16 97.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.174 -175.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.96 -42.34 76.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -138.07 80.61 28.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -54.29 135.52 65.46 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.741 1.628 . . . . 0.0 111.208 -179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 92.8 p -163.2 156.18 19.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.236 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.43 -38.39 77.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.202 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.2 -52.41 65.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.155 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -67.07 -34.13 76.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.261 -176.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 79.5 mt -63.62 -48.98 84.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.27 -44.18 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.215 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.68 -37.87 89.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.07 -49.22 78.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.82 -44.66 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -53.17 -54.55 34.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.71 -37.59 82.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -177.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.37 -47.22 90.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.86 -43.64 96.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.17 -41.88 98.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -63.03 -43.59 98.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -59.1 -41.58 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.241 178.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.0 91.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.228 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -64.75 -41.53 95.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 88.1 mt -60.55 -50.54 79.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.251 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 79.4 t -63.91 -42.76 96.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.218 -178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -59.23 -48.18 82.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.46 93.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 67.9 mt -61.19 -41.3 89.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 -178.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -47.69 -52.43 18.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.258 173.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.66 -38.68 85.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.195 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 91.2 mt -64.73 -44.29 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.88 -42.65 97.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.27 -41.22 96.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.221 177.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -58.09 -48.61 79.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 172.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.33 -38.24 83.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.23 95.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.172 177.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -64.56 -37.59 88.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.264 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . 0.457 HG23 HD21 ' B' ' 64' ' ' ASN . 79.7 mt -62.29 -43.42 98.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 178.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.2 -44.36 98.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -65.09 -36.94 85.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.252 177.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.63 -43.91 95.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.218 175.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' ASN . . . . . 0.466 HD21 HG23 ' A' ' 60' ' ' ILE . 93.5 m-20 -56.35 -45.91 80.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 176.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -55.61 -50.91 68.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.01 -39.55 82.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.168 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.92 -46.97 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 68.5 mt -63.14 -43.05 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -62.62 -43.64 98.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.2 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.29 94.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.227 174.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.49 -49.62 76.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -59.39 -41.51 89.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.186 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.34 -36.22 73.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 -175.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 32.0 pt -101.9 5.85 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.21 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.22 -118.4 1.99 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -173.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -176.43 -177.21 45.25 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.66 126.58 9.93 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 60.9 p -134.29 162.29 32.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.125 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . 0.42 ' NZ ' ' OE2' ' C' ' 83' ' ' GLU . 65.3 tttm -55.49 -44.83 76.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.27 172.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.47 -42.52 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.187 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 58.2 tp -52.76 -49.09 66.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -56.11 -46.98 78.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . 0.42 ' OE2' ' NZ ' ' C' ' 79' ' ' LYS . 97.8 mt-10 -62.33 -39.75 94.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.208 -178.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 72.3 mtm -64.2 -41.25 97.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -178.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.88 -33.45 75.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.259 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.6 -39.49 88.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.17 172.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -64.16 -35.55 81.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 60.3 mt -58.41 -39.35 79.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.212 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.56 -44.28 96.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -64.52 -42.06 96.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 81.3 mt -64.5 -39.26 93.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -72.07 -45.5 60.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -60.97 -31.13 70.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 73.0 m -72.13 -9.19 58.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.243 -176.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 88.4 mt -96.06 -3.49 44.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.195 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -67.23 145.68 54.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.206 -175.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -76.27 155.71 34.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.221 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.988 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 177.135 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.556 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.9 p -73.29 -8.7 56.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 0.0 111.263 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -75.98 -11.18 59.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.189 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 96.5 mtp -60.42 140.73 57.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.164 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.76 -159.27 34.3 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -176.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.5 m -64.23 -53.29 51.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.198 -170.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -96.08 3.61 53.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.099 -167.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -76.09 -9.37 58.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.219 -174.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.73 -11.93 52.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.203 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.48 ' NZ ' ' OE2' ' A' ' 14' ' ' GLU . 65.3 tttm -67.66 -49.97 60.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.166 -170.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -58.27 -33.67 69.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -174.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.8 m -66.04 -40.3 90.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.99 -39.31 94.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.312 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.48 ' OE2' ' NZ ' ' A' ' 10' ' ' LYS . 99.0 mt-10 -62.66 -43.09 99.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.247 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.79 -40.5 92.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.214 176.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 46.7 tp -63.0 -44.12 96.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.223 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -56.59 -48.58 77.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.224 176.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.8 -44.81 70.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.212 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.62 -44.41 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.81 -48.3 75.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.26 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.32 -41.67 89.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -178.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -64.38 -39.23 93.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.242 176.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.93 -50.09 74.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.186 177.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.33 -40.94 94.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 -175.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.12 -39.06 92.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.213 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -146.41 84.11 8.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -55.2 135.43 68.9 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.691 1.594 . . . . 0.0 111.196 -178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.5 p -162.48 156.85 21.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.172 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.17 -38.12 76.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.237 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.6 -52.51 65.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -67.22 -33.03 74.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.258 -175.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.6 mt -62.83 -49.02 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.203 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.9 t -65.21 -43.24 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -64.79 -38.71 91.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.6 -48.21 81.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 174.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.54 -45.93 96.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.253 178.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -54.76 -51.3 66.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.181 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.33 -40.21 89.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.244 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.409 HG23 HD21 ' C' ' 43' ' ' ASN . 69.7 mt -61.9 -43.24 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.7 t -60.93 -43.1 95.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.3 -39.0 88.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -65.25 -47.5 76.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -56.05 -42.57 76.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.46 77.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.169 178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.19 -38.15 89.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.232 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.47 -47.86 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.15 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.7 t -62.14 -44.39 98.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.99 -40.6 89.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.214 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.6 94.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 84.5 mt -62.55 -42.99 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -59.52 -38.36 80.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.16 -178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.82 -54.72 23.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 31.3 pt -70.56 -28.9 36.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -167.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.28 -34.51 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.207 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -69.61 -36.37 76.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 173.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.83 -38.55 91.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.176 173.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.5 -40.9 93.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 176.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.5 -39.36 87.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.248 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.24 -38.43 90.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.186 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.1 mt -61.8 -43.74 97.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.134 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.3 t -60.59 -44.51 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.26 175.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -61.74 -40.02 93.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 176.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.01 -42.76 99.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.1 -40.76 94.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.246 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -59.62 -44.45 93.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.285 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.73 -39.65 89.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.206 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 85.3 mt -60.54 -46.76 95.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.87 -45.18 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.233 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.8 -41.44 67.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.13 97.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.183 174.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.75 -31.93 72.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -57.5 -27.46 62.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.94 -32.19 70.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.454 ' C ' HD12 ' A' ' 74' ' ' ILE . 2.9 pp -121.51 -3.31 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -175.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.46 -24.36 7.51 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.22 144.92 48.7 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -174.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.92 -13.31 66.3 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 54.7 p -123.02 173.8 7.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.214 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -59.38 -32.8 70.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 -169.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 17.3 tt -56.54 -25.32 20.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.56 -45.33 94.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.44 -37.83 88.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.193 -176.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -65.46 -39.85 92.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.99 -36.59 80.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.38 -42.17 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.253 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -64.02 -39.62 94.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.218 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -63.97 -39.08 93.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.164 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.3 mt -60.23 -40.56 90.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.206 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.16 -43.49 95.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -62.19 -40.87 97.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.18 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.0 mt -61.73 -46.33 90.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.76 -39.65 81.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.32 -31.2 72.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 87.5 p -92.19 3.04 56.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.249 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.8 tp -85.6 119.1 25.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.231 -176.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -88.25 -5.42 58.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -79.46 132.57 36.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.032 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 178.15 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.576 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.2 p -73.24 -8.76 57.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 0.0 111.244 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -76.01 -11.11 59.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.188 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 96.6 mtp -60.51 140.81 57.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 -176.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.86 -159.28 34.22 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 86.2 m -64.18 -53.32 51.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.8 0.333 . . . . 0.0 111.215 -170.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -96.04 3.6 53.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 -167.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -76.08 -9.4 58.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 -174.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 93.2 mt -85.77 -11.9 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 174.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.475 ' NZ ' ' OE2' ' B' ' 14' ' ' GLU . 65.3 tttm -67.71 -49.94 60.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.21 -170.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -58.18 -33.79 69.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.217 -174.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 73.6 m -66.03 -40.21 90.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.06 -39.27 94.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.256 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.475 ' OE2' ' NZ ' ' B' ' 10' ' ' LYS . 99.0 mt-10 -62.71 -43.08 99.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.79 -40.47 91.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 176.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 46.8 tp -63.04 -44.07 96.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -56.56 -48.66 76.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.79 -44.69 70.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.267 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.66 -44.43 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 59.0 tp -55.79 -48.33 75.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.27 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.28 -41.72 89.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.183 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -64.28 -39.32 93.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.288 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 58.8 tp -60.92 -50.07 74.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.196 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.41 -40.91 93.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.06 -39.08 92.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.253 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -146.43 84.15 7.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -55.22 135.43 68.9 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.647 1.565 . . . . 0.0 111.235 -178.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 94.1 p -162.43 156.89 21.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.27 -38.14 76.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.62 -52.43 65.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -67.33 -32.93 74.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.24 -175.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 78.7 mt -62.86 -48.95 85.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 64.9 t -65.27 -43.26 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -64.77 -38.77 92.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.25 81.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.165 174.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.3 mt -60.44 -45.95 95.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.268 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -54.84 -51.29 66.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.15 89.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.231 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.88 -43.27 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 72.4 t -60.9 -43.07 94.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.28 -39.03 88.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.213 176.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -65.22 -47.55 76.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 177.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.402 HD21 HG23 ' C' ' 39' ' ' ILE . 91.3 m-20 -56.02 -42.6 76.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.214 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.22 -49.43 77.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -65.18 -38.17 89.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.48 -47.82 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.195 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 50.0 t -62.17 -44.32 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.271 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.99 -40.64 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.55 94.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.211 175.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.61 -42.94 97.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.202 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -59.54 -38.32 80.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.213 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.81 -54.76 22.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 31.2 pt -70.42 -28.99 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 -167.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.23 -34.5 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.235 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -69.56 -36.47 76.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 173.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.71 -38.6 91.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.257 173.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.44 -40.85 92.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.59 -39.3 87.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.314 175.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.24 -38.45 90.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.23 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 85.2 mt -61.84 -43.68 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 56.6 t -60.63 -44.5 97.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.19 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.73 -40.0 93.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.26 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.0 -42.81 99.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.176 177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.08 -40.8 95.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -59.64 -44.38 93.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.306 175.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.61 89.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.63 -46.63 95.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.88 -45.15 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.278 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.78 -41.5 67.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 178.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.19 97.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.203 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.74 -31.94 72.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.181 -176.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -57.57 -27.45 62.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.2 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.458 ' C ' HD12 ' B' ' 74' ' ' ILE . 2.9 pp -121.48 -3.31 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.139 -175.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.52 -24.35 7.48 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.18 144.86 48.68 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -174.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.92 -13.23 66.43 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 55.2 p -123.03 173.89 7.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.769 0.319 . . . . 0.0 111.231 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -59.43 -32.88 70.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.225 -169.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 17.3 tt -56.44 -25.35 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.256 -176.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.51 -45.37 94.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.22 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.44 -37.87 88.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 -176.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -65.34 -39.79 92.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.254 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.98 -36.66 80.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.36 -42.18 90.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 177.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -64.05 -39.65 94.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 175.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -63.88 -39.14 93.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 85.2 mt -60.26 -40.6 90.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.97 -43.62 95.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 177.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.24 -40.82 97.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 61.5 mt -61.69 -46.31 90.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.82 -39.65 81.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.234 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.25 -31.22 72.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 87.4 p -92.14 3.02 56.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.251 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 56.9 tp -85.61 119.14 25.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.216 -176.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -88.26 -5.46 58.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.229 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -79.4 132.58 36.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.241 -178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.01 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 178.196 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.601 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -73.25 -8.72 57.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 111.217 -176.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -76.02 -11.15 59.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.166 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 96.6 mtp -60.47 140.76 57.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.19 -176.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.83 -159.28 34.25 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 86.1 m -64.23 -53.3 51.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.74 0.305 . . . . 0.0 111.187 -170.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -96.04 3.62 53.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 -167.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -75.96 -9.53 58.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.253 -174.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.65 -11.94 52.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.23 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . 0.487 ' NZ ' ' OE2' ' C' ' 14' ' ' GLU . 65.3 tttm -67.63 -50.01 60.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 -170.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -58.25 -33.69 69.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 -174.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 73.5 m -66.11 -40.19 90.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.174 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.17 -39.2 93.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . 0.487 ' OE2' ' NZ ' ' C' ' 10' ' ' LYS . 99.0 mt-10 -62.68 -43.11 99.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.197 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.77 -40.57 92.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 176.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 46.9 tp -63.0 -44.11 96.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.213 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -56.6 -48.59 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 176.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.75 -44.82 70.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.258 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.53 -44.47 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.237 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.77 -48.33 75.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.272 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.32 -41.62 89.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.149 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -64.42 -39.2 93.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.252 176.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.0 -50.07 74.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.202 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.3 -40.94 94.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.196 -175.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.1 -39.04 92.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.263 -179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -146.46 84.16 7.94 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -55.21 135.33 68.47 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.745 1.63 . . . . 0.0 111.191 -178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 93.8 p -162.43 156.88 21.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.162 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.25 -38.15 76.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 177.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.63 -52.47 65.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -67.28 -32.96 74.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.268 -175.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 79.2 mt -62.8 -48.99 85.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.187 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.3 -43.23 95.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -64.74 -38.69 91.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.224 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.77 -48.06 82.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 174.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.61 -45.86 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.23 178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -54.91 -51.16 66.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.17 90.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.261 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . 0.402 HG23 HD21 ' B' ' 43' ' ' ASN . 69.8 mt -61.91 -43.23 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 72.8 t -60.88 -43.11 94.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.29 -39.06 89.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -65.15 -47.55 76.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.246 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' ASN . . . . . 0.409 HD21 HG23 ' A' ' 39' ' ' ILE . 91.4 m-20 -55.97 -42.55 76.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.285 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.4 77.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.232 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.21 -38.14 89.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.238 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 78.8 mt -61.46 -47.79 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.269 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 50.0 t -62.19 -44.39 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -59.97 -40.61 89.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.173 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.53 94.18 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.25 175.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 84.5 mt -62.6 -42.93 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.221 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -59.58 -38.28 80.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.85 -54.71 23.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.201 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 31.1 pt -70.56 -28.9 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -167.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 7.1 p -74.31 -34.52 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.239 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -69.53 -36.43 76.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 173.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.81 -38.55 91.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.176 173.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -60.49 -40.9 92.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.25 87.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.266 175.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -65.27 -38.49 90.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.198 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 85.3 mt -61.73 -43.71 97.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.208 176.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 57.5 t -60.66 -44.39 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.268 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.85 -40.02 93.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.186 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -62.99 -42.75 99.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 177.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -61.09 -40.81 95.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 176.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -59.66 -44.43 93.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.234 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.66 89.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 85.1 mt -60.52 -46.74 94.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.87 -45.2 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.262 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -53.73 -41.41 67.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.179 178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.85 -42.24 97.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.69 -31.92 72.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -57.61 -27.4 62.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 178.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.87 -32.26 70.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.206 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . 0.459 ' C ' HD12 ' C' ' 74' ' ' ILE . 2.9 pp -121.5 -3.31 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -175.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.51 -24.34 7.49 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.28 144.9 48.74 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -174.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 95.94 -13.36 66.22 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 55.6 p -122.99 173.88 7.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.752 0.311 . . . . 0.0 111.234 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -59.46 -32.71 70.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.22 -169.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 17.3 tt -56.61 -25.27 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.227 -176.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.55 -45.35 94.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.44 -37.9 89.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.215 -176.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -65.35 -39.86 92.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 74.3 mtm -67.94 -36.59 80.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.4 -42.23 91.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -64.03 -39.65 94.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.212 175.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.91 -39.18 93.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 85.6 mt -60.14 -40.62 90.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.196 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -64.04 -43.57 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.214 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -62.24 -40.85 97.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 61.4 mt -61.64 -46.34 90.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.231 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.76 -39.7 81.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.35 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 177.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 87.3 p -92.16 2.97 56.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 56.9 tp -85.57 119.13 25.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.205 -176.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -88.25 -5.43 58.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.254 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -79.4 132.57 36.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 -178.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.018 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.175 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.609 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -78.89 -16.74 56.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.232 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -135.03 148.42 49.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.095 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 61.2 ttp -81.94 73.22 8.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.187 -172.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.62 -148.67 50.59 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 166.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.5 m -67.69 -37.88 82.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.834 0.35 . . . . 0.0 111.218 -168.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -55.85 -53.45 56.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 -175.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -66.3 -35.28 79.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 44.2 tp -55.43 -49.88 71.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.287 174.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' NZ ' ' OE2' ' A' ' 14' ' ' GLU . 65.5 tttm -54.57 -49.1 71.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.176 177.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -59.27 -41.78 89.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 -178.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -63.33 -41.52 98.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.23 -30.07 63.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' OE2' ' NZ ' ' A' ' 10' ' ' LYS . 97.1 mt-10 -62.18 -41.19 98.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 170.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -70.43 -34.59 72.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.225 175.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 tp -55.06 -45.15 75.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -59.95 -45.97 90.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.21 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.88 -45.13 86.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.255 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.12 -47.28 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.2 177.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.0 tp -54.44 -54.25 43.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 176.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.7 -37.91 80.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -173.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -67.84 -43.38 79.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.44 -29.22 63.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 -175.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -63.0 -19.41 64.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.276 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.53 -25.31 67.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -153.48 83.89 4.4 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -74.42 61.1 5.1 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.696 1.598 . . . . 0.0 111.233 -171.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.0 p -77.25 165.16 24.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.231 170.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.25 -39.31 66.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.84 -49.41 72.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.2 177.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.429 ' OE1' ' HA ' ' A' ' 31' ' ' GLN . 9.2 mm100 -70.16 -35.46 74.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.154 -175.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.3 mt -65.74 -51.32 63.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 -178.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.6 p -66.68 -27.46 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -62.79 -42.62 99.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.231 175.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.42 86.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.4 mt -63.95 -44.66 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.19 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -52.46 -48.83 65.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.41 -40.04 81.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.207 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.3 mt -65.46 -46.64 89.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -58.88 -45.32 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.202 -178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.83 -37.92 87.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -69.25 -32.64 71.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.187 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -61.88 -36.6 81.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.7 -36.17 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -67.93 -33.91 75.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.198 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.93 -51.99 62.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.251 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.51 -29.85 47.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.239 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -63.4 -43.23 98.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.209 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.78 -49.05 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 173.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 88.0 mt -56.84 -44.52 82.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.235 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -50.34 -50.45 51.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.202 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.15 82.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.25 -43.36 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.267 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.91 -44.34 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -64.61 -39.21 93.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.22 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.91 -40.79 98.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 175.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.66 -38.0 83.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.214 176.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.64 87.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.215 176.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.68 -38.4 89.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.36 -42.58 96.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.192 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.37 -44.25 95.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 176.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' OE2' ' NZ ' ' A' ' 92' ' ' LYS . 76.0 mm-40 -64.68 -36.88 85.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 177.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.39 -45.63 92.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 174.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.6 -41.6 86.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -57.43 -53.22 60.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 174.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.38 83.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.238 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.59 -47.81 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.253 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.5 -45.13 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -62.42 -46.35 88.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.265 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.03 93.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.0 tp -60.68 -46.99 88.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.167 -176.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.07 -43.0 99.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 174.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.34 -38.47 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.227 -172.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.509 ' C ' HD12 ' A' ' 74' ' ' ILE . 2.7 pp -96.35 3.53 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -174.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.6 -137.56 4.06 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.46 -165.97 10.88 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.53 143.56 35.69 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.525 HG22 ' H ' ' A' ' 80' ' ' ILE . 40.5 m -154.18 136.24 14.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 111.129 176.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.473 ' NZ ' ' OE2' ' A' ' 83' ' ' GLU . 64.9 tttm -52.07 -41.24 62.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.225 179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.525 ' H ' HG22 ' A' ' 78' ' ' THR . 96.3 mt -61.15 -39.59 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.218 -176.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.1 mt -55.73 -46.1 77.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -66.74 -37.35 84.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.204 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.473 ' OE2' ' NZ ' ' A' ' 79' ' ' LYS . 98.7 mt-10 -63.54 -40.25 96.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.217 177.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 73.9 mtm -66.13 -37.01 84.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.21 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -61.36 -37.46 83.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -67.22 -52.85 36.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.231 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.99 -36.08 82.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 45.8 tp -56.2 -51.96 66.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.4 -45.13 94.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.185 -176.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -64.04 -37.27 86.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.69 -46.64 87.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.231 172.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.438 ' NZ ' ' OE2' ' A' ' 62' ' ' GLU . 60.2 tttp -56.57 -34.34 67.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 -177.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -54.17 -34.68 61.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.237 -178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.4 p -72.98 -14.3 61.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -170.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.25 -19.17 64.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -174.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -85.65 -1.57 57.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.179 -178.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -118.78 -41.0 2.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.007 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -178.489 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.549 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 89.9 p -78.94 -16.73 56.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 111.219 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -134.99 148.53 50.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 61.3 ttp -82.12 73.25 9.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -171.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.63 -148.68 50.6 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 166.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 90.9 m -67.73 -37.87 82.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 0.0 111.231 -168.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -55.85 -53.43 56.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.195 -175.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.27 -35.24 79.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 -179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 43.9 tp -55.52 -49.97 71.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 174.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.449 ' NZ ' ' OE2' ' B' ' 14' ' ' GLU . 65.5 tttm -54.45 -49.11 70.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.238 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -59.29 -41.8 89.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -63.38 -41.4 98.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.209 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 88.4 mt -73.26 -29.99 63.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.22 -176.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.449 ' OE2' ' NZ ' ' B' ' 10' ' ' LYS . 97.1 mt-10 -62.21 -41.16 98.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.181 170.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 42.4 mmt180 -70.51 -34.57 72.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 175.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 tp -55.14 -45.12 75.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -59.91 -46.05 90.59 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.79 -45.23 86.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.252 175.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 85.3 mt -59.01 -47.37 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.177 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 tp -54.39 -54.28 42.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.67 -37.93 80.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.199 -173.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -67.82 -43.37 79.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.43 -29.26 63.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -175.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -63.01 -19.4 64.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.234 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.61 -25.22 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.205 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -153.46 83.86 4.41 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.19 178.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -74.4 61.08 5.08 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.705 1.604 . . . . 0.0 111.242 -171.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 82.9 p -77.16 165.08 25.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.245 170.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.25 -39.19 66.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.31 178.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.85 -49.47 72.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' B' ' 31' ' ' GLN . 9.2 mm100 -70.06 -35.57 74.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.173 -175.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 84.4 mt -65.65 -51.31 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.271 -178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.68 -27.46 40.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 -177.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -62.91 -42.58 99.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 175.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.4 86.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 175.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.96 -44.62 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -52.61 -48.7 66.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.48 -40.04 81.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.4 -46.69 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -58.86 -45.29 91.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.24 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.8 -37.98 87.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -69.22 -32.73 72.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -61.81 -36.55 81.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.275 176.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.13 78.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.199 173.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -67.92 -34.03 75.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 89.9 mt -63.82 -51.99 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.3 -178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 p -66.58 -29.81 47.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.233 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -63.37 -43.28 98.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 174.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.77 -49.05 76.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.186 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 87.7 mt -56.92 -44.41 82.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.186 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 62.2 ttp85 -50.43 -50.45 52.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.222 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.04 82.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.236 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.33 -43.37 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.228 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 56.6 t -60.89 -44.31 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -64.68 -39.27 93.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.207 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.81 -40.75 98.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 175.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.8 -37.9 83.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.206 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.6 87.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.24 176.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.71 -38.37 89.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 177.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.39 -42.53 96.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.255 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.37 -44.34 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.455 ' OE2' ' NZ ' ' B' ' 92' ' ' LYS . 76.1 mm-40 -64.6 -36.83 85.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.274 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.46 -45.48 92.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 174.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -58.8 -41.51 86.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -57.4 -53.21 60.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.168 174.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.29 -38.42 83.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -177.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 86.1 mt -62.56 -47.84 91.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.47 -45.06 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.234 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.49 -46.39 88.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.253 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.03 93.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 177.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.7 tp -60.59 -47.05 87.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.265 -176.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.04 -42.95 99.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.175 173.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.55 80.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -172.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.499 ' C ' HD12 ' B' ' 74' ' ' ILE . 2.7 pp -96.32 3.5 9.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 -174.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.6 -137.59 4.06 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -177.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.43 -165.98 10.89 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.45 143.54 35.78 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.523 HG22 ' H ' ' B' ' 80' ' ' ILE . 40.4 m -154.17 136.18 14.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.819 0.342 . . . . 0.0 111.162 176.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . 0.487 ' NZ ' ' OE2' ' B' ' 83' ' ' GLU . 64.9 tttm -51.94 -41.31 61.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.264 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . 0.523 ' H ' HG22 ' B' ' 78' ' ' THR . 96.3 mt -61.18 -39.57 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.272 -176.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 45.4 mt -55.67 -46.16 77.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -66.65 -37.42 84.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.487 ' OE2' ' NZ ' ' B' ' 79' ' ' LYS . 98.7 mt-10 -63.49 -40.28 96.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.292 176.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 74.0 mtm -66.11 -36.99 84.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.254 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -61.35 -37.48 83.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.159 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -67.17 -53.04 34.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.153 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.89 -35.95 81.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.23 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 45.6 tp -56.36 -51.95 66.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.217 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.22 -45.27 94.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -64.03 -37.19 86.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.215 -178.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.82 -46.66 86.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.07 172.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.455 ' NZ ' ' OE2' ' B' ' 62' ' ' GLU . 60.2 tttp -56.48 -34.47 66.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 -177.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -54.15 -34.67 60.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 67.8 p -72.96 -14.26 61.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 -170.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.29 -19.16 64.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 -174.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -85.65 -1.59 57.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.194 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -118.75 -40.94 2.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 178.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.977 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.463 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p -78.95 -16.75 56.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.383 . . . . 0.0 111.208 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -134.95 148.48 50.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.154 -178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 61.1 ttp -82.05 73.21 9.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.174 -172.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . 63.65 -148.72 50.61 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 166.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 91.0 m -67.74 -37.88 82.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.361 . . . . 0.0 111.191 -168.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -55.77 -53.51 55.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -175.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -66.25 -35.24 79.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 44.2 tp -55.5 -49.93 71.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 174.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . 0.448 ' NZ ' ' OE2' ' C' ' 14' ' ' GLU . 65.6 tttm -54.64 -49.01 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -59.35 -41.73 89.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 68.8 m -63.39 -41.44 98.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.141 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.32 -30.03 63.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 -176.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . 0.448 ' OE2' ' NZ ' ' C' ' 10' ' ' LYS . 97.1 mt-10 -62.1 -41.26 98.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 170.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -70.39 -34.62 72.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.231 175.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 66.2 tp -55.11 -45.04 75.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.202 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -60.02 -45.97 91.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.185 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -57.86 -45.23 86.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.257 175.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 85.9 mt -58.91 -47.39 89.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.265 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 52.8 tp -54.37 -54.26 42.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.272 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.69 -37.93 80.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.206 -173.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -67.83 -43.36 79.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 95.8 mt -72.43 -29.27 63.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -175.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -63.07 -19.35 64.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.61 -25.2 67.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -153.51 83.84 4.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -74.4 61.07 5.07 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.743 1.629 . . . . 0.0 111.232 -171.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 82.9 p -77.21 165.12 24.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.22 170.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.19 -39.27 66.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.285 178.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.87 -49.45 72.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.198 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' C' ' 31' ' ' GLN . 9.2 mm100 -70.18 -35.38 73.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.199 -175.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.74 -51.38 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 5.5 p -66.62 -27.45 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 -177.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -62.9 -42.63 99.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.194 175.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.32 -40.37 86.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 175.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.05 -44.64 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -52.49 -48.78 65.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.172 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.44 -40.05 81.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.243 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 89.4 mt -65.41 -46.68 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.168 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.8 -45.39 91.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.243 -178.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -65.75 -37.94 87.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -69.3 -32.68 71.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -61.89 -36.5 81.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 176.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.71 -36.21 78.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 173.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -67.91 -33.94 75.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.218 178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.89 -52.05 61.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.217 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -66.56 -29.83 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -63.4 -43.21 98.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.219 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.98 76.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 87.9 mt -56.89 -44.49 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 62.3 ttp85 -50.29 -50.52 50.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.221 177.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.71 -40.08 82.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.29 -43.32 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.275 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.88 -44.38 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -64.59 -39.26 93.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.83 -40.76 98.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 175.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.67 -37.97 83.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.278 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.54 87.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.219 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -65.76 -38.34 88.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.211 177.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.45 -42.54 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.37 -44.23 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.219 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . 0.439 ' OE2' ' NZ ' ' C' ' 92' ' ' LYS . 76.1 mm-40 -64.65 -36.97 85.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 177.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -62.33 -45.6 92.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 174.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.69 -41.54 86.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.246 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -57.34 -53.24 60.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.39 -38.4 83.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -177.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 86.3 mt -62.53 -47.88 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.46 -45.11 98.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.192 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.41 -46.43 88.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.233 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.1 93.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 42.7 tp -60.57 -47.01 88.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.307 -176.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -63.01 -42.96 99.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 173.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.37 -38.49 80.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.243 -172.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . 0.505 ' C ' HD12 ' C' ' 74' ' ' ILE . 2.7 pp -96.34 3.46 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 -174.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.61 -137.59 4.06 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.4 -165.86 10.86 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.55 143.55 35.64 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 177.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.521 HG22 ' H ' ' C' ' 80' ' ' ILE . 40.8 m -154.2 136.15 14.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 111.173 176.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . 0.461 ' NZ ' ' OE2' ' C' ' 83' ' ' GLU . 64.9 tttm -51.9 -41.38 61.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 80' ' ' ILE . . . . . 0.521 ' H ' HG22 ' C' ' 78' ' ' THR . 96.3 mt -61.06 -39.64 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.266 -176.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 45.1 mt -55.68 -46.12 77.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -66.68 -37.41 84.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 -178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . 0.461 ' OE2' ' NZ ' ' C' ' 79' ' ' LYS . 98.7 mt-10 -63.55 -40.21 96.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.236 177.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 74.0 mtm -66.17 -37.01 84.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -61.4 -37.41 83.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -67.23 -52.97 34.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 175.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -62.82 -36.06 81.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.202 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 45.9 tp -56.26 -51.99 66.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 177.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.3 -45.18 94.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -63.97 -37.37 87.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.211 -178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.73 -46.56 87.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 172.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . 0.439 ' NZ ' ' OE2' ' C' ' 62' ' ' GLU . 60.2 tttp -56.64 -34.37 67.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -177.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -54.18 -34.68 61.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 66.3 p -72.89 -14.29 61.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.241 -170.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.29 -19.18 64.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -174.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -85.64 -1.54 57.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.168 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -118.82 -40.97 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.014 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -178.515 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 111.129 -0.788 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.405 ' H ' ' HG3' ' A' ' 48' ' ' GLU . 70.6 m -108.33 13.57 25.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 111.161 -178.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -62.31 129.4 40.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.206 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 19.8 mmt -134.79 174.98 9.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.231 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.92 177.13 47.86 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -175.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 99.4 m -61.9 -42.74 99.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.895 0.379 . . . . 0.0 111.233 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.48 -31.86 70.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -73.83 -40.75 63.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.3 mt -64.43 -40.77 96.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.264 172.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -59.43 -49.7 76.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.176 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -60.15 -39.65 87.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.304 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.4 m -62.44 -41.53 98.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.93 -40.12 96.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.69 -39.21 93.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -64.2 -41.68 96.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.191 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.51 -41.71 94.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.235 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -59.99 -47.82 84.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.166 175.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -52.68 -50.01 64.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 -179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.1 mm -70.91 -40.07 76.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 -176.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.5 tp -56.5 -47.59 78.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.189 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.83 -40.71 89.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.236 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.26 -40.12 92.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.259 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 63.4 mt -65.37 -41.16 94.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.78 -36.8 79.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -81.16 -48.27 12.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 178.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -139.1 83.62 17.78 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 -173.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.88 141.54 85.39 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.66 1.574 . . . . 0.0 111.231 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.4 t -167.33 145.91 4.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.303 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.3 -32.32 64.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.218 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.75 -48.69 79.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 -178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -75.6 -31.1 59.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.211 -178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 70.7 mt -61.97 -47.4 93.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.25 -40.83 90.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.165 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -61.0 -40.36 93.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 175.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.92 88.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.258 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -60.24 -45.25 96.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.13 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -49.86 -54.64 18.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.186 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.73 83.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 86.2 mt -65.0 -47.66 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.71 -44.32 98.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.186 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.39 -40.56 96.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.14 177.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -63.01 -44.72 95.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.27 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -59.9 -40.92 90.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.219 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.91 -41.2 86.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -64.7 -42.89 94.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.5 mt -63.21 -48.47 87.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.233 -176.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.4 t -58.41 -48.62 84.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.284 -175.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 2' ' ' SER . 74.9 mm-40 -69.84 -37.35 76.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.243 -177.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.34 -47.56 85.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.157 177.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.68 -44.23 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.183 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -56.08 -41.12 74.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.76 -36.06 69.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.9 -40.56 89.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.159 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.8 -40.09 85.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -62.2 -38.66 89.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 174.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -62.89 -38.05 89.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.261 175.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.58 -38.17 86.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.65 89.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.186 176.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.23 -39.66 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 175.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.0 mt -62.86 -41.68 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.249 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 43.6 t -56.79 -50.25 75.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.241 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.75 -35.36 79.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.149 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.37 -50.61 69.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 174.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -59.28 -38.99 81.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.201 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.29 -53.56 55.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.256 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.71 -37.2 78.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.155 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 94.2 mt -65.48 -48.03 84.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.196 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.59 -44.0 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.231 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.52 -44.33 96.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.34 93.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 175.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.468 ' C ' HD23 ' A' ' 71' ' ' LEU . 7.4 tt -59.73 -49.78 76.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 -178.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.2 -43.85 78.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.26 177.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.61 69.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 pt -106.38 10.92 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.244 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.17 -177.49 50.8 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -168.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.67 -88.71 1.32 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.85 -173.95 48.97 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 70.5 p -125.28 20.1 8.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.752 0.311 . . . . 0.0 111.219 -174.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.2 -51.53 8.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.154 -167.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.1 pt -120.66 24.08 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.6 tp -64.0 -47.98 78.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.8 -35.83 79.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.195 178.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.93 -44.63 96.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 76.8 mtm -62.18 -41.86 98.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.271 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -68.43 -42.52 78.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.174 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.62 -50.1 73.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.285 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.1 -38.25 82.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.41 -50.31 74.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.249 175.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.4 -42.0 93.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.1 -42.42 94.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.8 -45.26 87.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -59.4 -42.77 92.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.09 -30.98 72.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.177 178.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.5 m -79.59 -0.6 34.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -174.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.8 -11.24 60.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -82.08 -3.88 55.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.321 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -98.45 154.88 17.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.057 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 177.533 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.57 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.6 m -108.33 13.55 25.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.331 . . . . 0.0 111.146 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -62.27 129.39 40.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.218 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 19.8 mmt -134.79 174.97 9.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.266 177.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.91 177.13 47.89 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 100.0 m -61.91 -42.79 99.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.904 0.383 . . . . 0.0 111.21 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.41 -31.99 70.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.187 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -73.65 -40.79 63.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.243 -176.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.48 -40.8 96.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 172.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -59.38 -49.69 76.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.191 175.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -60.15 -39.67 87.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.234 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 71.1 m -62.45 -41.55 98.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.188 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.92 -40.1 96.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.63 -39.22 93.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.241 177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -64.21 -41.68 96.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.227 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 63.6 mt -60.51 -41.7 94.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.236 177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.06 -47.75 84.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -52.65 -50.02 64.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.251 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 48.1 mm -70.99 -39.97 75.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 53.1 tp -56.63 -47.52 79.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.77 -40.79 89.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.279 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.22 -40.11 92.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.278 176.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 63.3 mt -65.38 -41.09 94.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.296 179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.8 -36.81 79.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 -177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -81.18 -48.14 12.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.271 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -139.2 83.58 17.64 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 -173.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -55.88 141.55 85.42 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.601 1.534 . . . . 0.0 111.244 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 31.4 t -167.27 145.9 4.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.317 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.38 -32.23 64.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.83 -48.64 79.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -75.6 -31.15 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 -178.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.0 mt -61.95 -47.4 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.23 -40.88 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.168 177.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.9 -40.39 92.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.225 175.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.71 -46.88 88.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.312 175.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.3 mt -60.34 -45.19 96.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.191 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -49.86 -54.64 18.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 174.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.89 83.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.24 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.0 -47.69 87.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.123 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 71.9 t -63.69 -44.31 98.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.33 -40.6 96.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -63.05 -44.64 95.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.336 176.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -59.96 -40.86 90.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.286 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.27 86.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 178.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -64.75 -42.8 94.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.111 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 81.4 mt -63.29 -48.56 86.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.188 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 42.3 t -58.31 -48.59 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.285 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -69.87 -37.37 76.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 -177.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.49 85.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 177.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 78.7 mt -58.59 -44.33 89.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.226 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -56.03 -41.12 74.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.77 -36.06 69.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.83 -40.67 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.126 175.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.73 -40.13 85.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.099 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.13 -38.68 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.098 174.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.92 -38.08 89.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -61.49 -38.2 86.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.221 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.73 89.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.229 176.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -64.18 -39.67 94.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 175.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 84.9 mt -62.89 -41.7 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 43.3 t -56.8 -50.23 75.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.256 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -66.78 -35.26 79.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.143 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.43 -50.74 68.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.178 174.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -59.16 -39.05 81.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.178 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.23 -53.56 55.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 176.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.71 -37.18 78.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.231 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.49 -47.99 84.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.25 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 88.0 mt -63.55 -44.06 98.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.66 -44.19 96.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.84 -45.43 92.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.466 ' C ' HD23 ' B' ' 71' ' ' LEU . 7.4 tt -59.58 -49.82 76.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.305 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.21 -43.72 78.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.321 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.54 -33.61 70.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -177.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 pt -106.35 10.83 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.186 -177.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.15 -177.58 50.83 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -168.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.58 -88.76 1.33 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.78 -173.9 48.85 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 174.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 70.7 p -125.37 20.12 8.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.347 . . . . 0.0 111.254 -174.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.17 -51.47 8.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.241 -167.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 44.0 pt -120.75 24.11 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.215 -176.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 60.5 tp -63.99 -47.96 78.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.88 -35.74 79.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.199 178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.96 -44.65 97.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.285 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 76.9 mtm -62.05 -42.0 98.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.322 177.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -68.24 -42.56 79.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.285 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.7 -50.07 73.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.288 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.0 -38.29 82.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.21 -178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.43 -50.34 74.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.23 175.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.41 -41.98 93.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 -177.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.99 -42.53 94.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 60.6 tp -64.73 -45.2 87.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -59.51 -42.67 92.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -63.13 -30.98 72.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 68.4 m -79.64 -0.5 34.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.21 -174.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 90.3 mt -68.86 -11.16 60.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.175 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -82.09 -3.9 55.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.321 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -98.54 154.91 17.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.182 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.071 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 177.535 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . 0.408 ' H ' ' HG3' ' C' ' 48' ' ' GLU . 70.3 m -108.34 13.6 25.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.754 0.311 . . . . 0.0 111.158 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -62.23 129.4 40.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 19.8 mmt -134.84 174.97 10.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.217 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.91 177.2 47.91 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -175.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 100.0 m -61.91 -42.79 99.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.934 0.397 . . . . 0.0 111.235 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.47 -31.89 70.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 -179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -73.75 -40.74 63.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.189 -176.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 82.2 mt -64.49 -40.81 96.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.237 172.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -59.36 -49.63 77.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.259 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -60.16 -39.68 87.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.27 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 71.5 m -62.53 -41.42 98.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 83.5 mt -62.99 -40.15 96.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 176.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.64 -39.2 93.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.216 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -64.17 -41.72 97.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.244 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.43 -41.72 94.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.301 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -60.05 -47.75 84.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 175.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -52.74 -49.98 64.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.123 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 48.2 mm -70.97 -39.96 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 -176.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 53.3 tp -56.59 -47.55 79.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.78 -40.81 89.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.194 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.15 -40.16 92.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.309 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 63.1 mt -65.35 -41.16 94.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.248 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.78 -36.77 79.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.186 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -81.19 -48.14 12.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.279 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -139.18 83.54 17.72 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 -173.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -55.92 141.59 85.68 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.626 1.55 . . . . 0.0 111.272 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 31.4 t -167.36 145.93 4.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.28 176.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.44 -32.25 64.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 177.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.76 -48.64 79.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -75.64 -31.13 59.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.95 -47.37 93.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 178.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.27 -40.86 90.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.159 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -61.01 -40.31 93.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.88 88.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.269 175.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.32 -45.18 96.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -49.93 -54.63 18.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 174.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.84 -37.84 83.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.244 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 86.0 mt -65.04 -47.76 86.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 72.9 t -63.52 -44.39 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.173 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.34 -40.59 96.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 177.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -62.94 -44.76 95.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.336 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -59.96 -40.86 90.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.256 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.31 86.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -64.71 -42.78 95.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.11 176.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 81.4 mt -63.3 -48.55 86.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.13 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.39 -48.61 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.22 -175.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' GLU . . . . . 0.408 ' HG3' ' H ' ' C' ' 2' ' ' SER . 74.9 mm-40 -69.81 -37.38 76.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.224 -177.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.37 -47.57 85.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.183 177.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 79.2 mt -58.53 -44.4 89.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.19 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 70.1 ttp85 -55.97 -41.06 74.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.209 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.87 -35.96 69.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.93 -40.66 89.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.105 175.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 70.8 t -61.68 -40.19 85.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.095 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.12 -38.63 89.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.134 174.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -62.95 -38.01 89.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.245 176.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -61.52 -38.21 86.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.73 89.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -64.26 -39.55 94.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 175.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.93 -41.73 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 178.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 43.6 t -56.68 -50.3 74.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.264 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.77 -35.29 79.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.172 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.43 -50.64 68.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.276 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -59.17 -39.01 81.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.26 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -56.23 -53.65 54.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.205 176.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.67 -37.2 78.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.168 -178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 94.1 mt -65.46 -48.03 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.59 -44.03 98.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.58 -44.23 96.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.255 178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.31 93.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . 0.467 ' C ' HD23 ' C' ' 71' ' ' LEU . 7.4 tt -59.74 -49.8 76.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 -178.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -56.18 -43.79 78.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.287 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.55 -33.56 70.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 -177.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 pt -106.35 10.82 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.166 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -85.2 -177.56 50.78 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -168.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -117.6 -88.71 1.32 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.84 -173.95 48.96 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 174.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 69.5 p -125.31 20.12 8.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.863 0.363 . . . . 0.0 111.256 -174.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -44.24 -51.48 8.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -167.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 44.0 pt -120.73 24.2 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.233 -176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 60.2 tp -64.02 -47.98 78.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.88 -35.71 79.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.178 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.06 -44.58 97.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.257 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 76.8 mtm -62.16 -41.92 98.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.248 177.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -68.31 -42.53 79.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.252 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.71 -50.08 73.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.236 177.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -60.05 -38.22 82.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.198 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.48 -50.37 74.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.229 175.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.28 -42.07 93.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.01 -42.44 94.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.212 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 60.4 tp -64.78 -45.23 87.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -59.49 -42.73 92.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -63.1 -30.95 72.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 68.9 m -79.6 -0.56 34.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.246 -174.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.83 -11.19 60.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.165 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -82.21 -3.76 55.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.335 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -98.56 154.96 17.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.211 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.033 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 177.612 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.552 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -87.64 171.85 10.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.72 0.295 . . . . 0.0 111.258 170.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.483 ' H ' ' HB1' ' A' ' 52' ' ' ALA . 99.1 m-70 -98.64 9.06 44.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.197 171.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 60.2 ttm -139.75 128.98 23.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.243 173.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.34 149.17 49.64 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -174.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.0 p -90.13 -5.62 56.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.816 0.341 . . . . 0.0 111.189 176.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.53 -39.11 92.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 175.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.4 -37.94 87.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.261 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.66 -42.73 95.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.242 178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -65.28 -39.83 93.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -57.01 -47.96 79.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.182 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.7 m -60.54 -40.13 90.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 78.1 mt -62.06 -40.32 95.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.218 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.31 -37.43 87.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 72.6 mtm180 -64.03 -42.88 96.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.28 174.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.55 -39.04 92.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.211 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -57.26 -50.75 71.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -58.48 -43.43 88.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.7 mt -60.75 -42.73 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.8 mt -59.29 -43.93 92.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.241 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.46 -43.9 96.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.208 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.52 -38.18 86.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 176.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.7 tp -64.43 -47.62 78.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.73 -42.01 78.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.245 -176.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.99 -41.63 86.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 -178.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -137.45 79.14 36.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.211 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -54.56 134.89 64.28 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.718 1.612 . . . . 0.0 111.232 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.9 p -165.33 156.14 13.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.53 -37.55 75.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.184 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.61 -52.35 65.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.226 178.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -67.39 -35.27 78.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -177.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -63.35 -49.28 83.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.6 t -64.23 -45.58 95.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.223 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.31 -39.85 95.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.39 86.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 176.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.1 mt -61.69 -46.9 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.255 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.98 -47.15 83.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.249 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.29 83.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.09 -44.7 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.267 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.35 -42.65 94.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.267 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -58.64 -47.09 85.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.222 174.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -57.76 -43.81 85.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.236 176.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -60.19 -40.35 89.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.3 -41.48 89.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 177.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -65.37 -40.11 93.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 176.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.0 mt -62.23 -50.72 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.54 -45.81 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.258 -175.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -64.07 -39.46 94.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.193 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.78 84.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.23 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 90.4 mt -57.45 -44.62 84.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -54.85 -46.06 74.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.483 ' HB1' ' H ' ' A' ' 3' ' ' HIS . . . -57.57 -39.53 76.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.164 178.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.92 -46.1 95.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 176.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.45 -46.76 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.195 -178.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.91 -40.84 97.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.259 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -67.2 -37.28 83.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.211 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -59.53 -39.9 85.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.01 -40.3 88.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -66.95 -38.1 85.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.281 178.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 78.9 mt -61.41 -43.43 96.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.18 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.73 -44.6 98.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.89 -40.3 94.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.248 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.73 -45.06 91.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -60.37 -38.36 83.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.18 -47.75 84.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.258 176.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.88 -38.09 84.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.88 -44.73 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.23 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.3 mt -64.94 -43.23 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.245 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.62 -39.77 77.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.196 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.5 95.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.157 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 35.1 mt -58.55 -44.99 89.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 175.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -55.0 -46.56 75.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.164 175.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.2 -37.29 74.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.192 -175.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 47.2 pt -102.54 13.7 6.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 -173.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.5 -1.84 32.9 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.62 147.42 49.81 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -171.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.18 -24.57 27.51 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.7 p -131.04 169.96 15.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.717 0.294 . . . . 0.0 111.263 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -61.92 -29.5 70.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 -171.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.84 -23.13 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.24 -177.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 52.9 tp -51.83 -52.22 50.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 175.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.01 -40.39 65.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -172.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.1 -36.5 84.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -175.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 73.6 mtm -74.46 -39.93 62.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.33 -35.4 69.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.229 179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.74 -26.68 62.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.68 -25.61 66.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.97 -35.3 79.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.26 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.42 -38.76 74.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.47 -39.51 77.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.238 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.3 tp -71.25 -38.57 71.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.141 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.68 -26.55 14.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.158 -174.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -58.15 -22.98 53.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.5 p -112.31 10.85 20.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.221 -177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.6 tp -91.68 125.67 36.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.226 -174.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -78.48 149.14 33.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.273 178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -130.64 153.69 48.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.182 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.95 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 176.341 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.533 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 90.0 p -87.65 171.88 10.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.79 0.329 . . . . 0.0 111.235 170.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . 0.48 ' H ' ' HB1' ' B' ' 52' ' ' ALA . 99.1 m-70 -98.68 9.16 43.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.202 171.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 60.2 ttm -139.82 128.96 23.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 173.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.3 149.19 49.7 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -174.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 80.2 p -90.12 -5.62 56.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.836 0.351 . . . . 0.0 111.208 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.53 -39.1 92.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.215 175.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.44 -37.91 87.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.217 176.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.69 -42.69 95.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.266 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -65.27 -39.82 93.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.222 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -57.09 -47.86 80.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 55.8 m -60.57 -40.17 90.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.03 -40.35 95.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.237 179.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -65.21 -37.6 87.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -63.92 -43.01 97.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.53 -38.91 91.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.254 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -57.43 -50.61 72.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 177.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -58.63 -43.35 89.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 87.6 mt -60.78 -42.72 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 63.7 mt -59.26 -44.0 92.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.44 -43.86 96.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.216 178.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.47 -38.25 86.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.41 -47.57 78.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -68.88 -41.96 77.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -176.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.93 -41.71 86.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.208 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -137.4 79.18 36.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.217 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -54.53 134.98 64.59 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.73 1.62 . . . . 0.0 111.172 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 92.2 p -165.43 156.12 13.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.176 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.61 -37.44 75.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.184 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.63 -52.33 65.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 178.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -67.48 -35.27 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.225 -177.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.31 -49.33 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.26 -45.55 95.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.29 -39.98 96.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -47.37 86.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.246 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.0 mt -61.72 -46.95 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.172 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.95 -47.25 83.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.156 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.25 -38.39 83.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.0 mt -64.06 -44.65 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.306 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 78.6 t -61.4 -42.68 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -58.63 -47.07 85.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.235 174.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -57.77 -43.84 85.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 176.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.14 -40.39 89.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.27 -41.53 89.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 177.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -65.31 -40.16 93.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.16 -50.7 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.61 -45.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -175.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.9 -39.45 94.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.274 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.67 -46.72 84.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.204 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 90.1 mt -57.4 -44.72 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -54.77 -46.05 74.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . 0.48 ' HB1' ' H ' ' B' ' 3' ' ' HIS . . . -57.63 -39.52 77.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 178.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.93 -46.06 95.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.45 -46.83 92.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.216 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.86 -40.91 97.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.299 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -67.14 -37.27 83.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.228 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -59.57 -39.69 84.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 177.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.23 89.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.201 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -66.99 -38.17 85.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 79.1 mt -61.39 -43.45 96.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.206 178.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.71 -44.6 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 176.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -61.88 -40.33 95.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.281 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.61 -45.2 91.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 177.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.3 -38.4 83.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.17 -47.71 84.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.275 176.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.9 -38.03 84.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.219 177.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.88 -44.77 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.216 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.88 -43.27 96.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.24 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.68 -39.69 77.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.208 175.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.44 95.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.62 -45.04 90.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 175.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -54.98 -46.44 75.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.294 175.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.31 -37.2 74.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 -175.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 47.3 pt -102.68 13.76 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 -173.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.52 -1.87 32.84 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.234 -0.747 . . . . 0.0 111.234 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.61 147.34 49.82 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -171.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.26 -24.63 27.24 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 82.6 p -130.96 169.97 15.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 111.175 -178.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -61.89 -29.56 70.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -171.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.87 -23.06 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.249 -177.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.8 tp -51.97 -52.14 52.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.104 176.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.08 -40.3 65.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.17 -172.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.19 -36.46 84.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 -175.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 73.6 mtm -74.48 -39.93 62.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 175.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.35 -35.35 69.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.18 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.83 -26.62 62.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.73 -25.58 66.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.98 -35.31 79.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.223 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.4 -38.7 74.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -176.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -69.59 -39.44 77.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.243 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 54.0 tp -71.14 -38.68 72.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.7 -26.44 13.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 -174.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -58.2 -22.96 53.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 -177.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 83.3 p -112.39 10.88 19.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 51.3 tp -91.54 125.65 36.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.274 -174.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -78.54 149.16 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.249 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -130.54 153.7 48.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.937 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 176.205 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.556 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 90.2 p -87.56 171.88 10.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.836 0.35 . . . . 0.0 111.234 170.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . 0.484 ' H ' ' HB1' ' C' ' 52' ' ' ALA . 99.1 m-70 -98.64 9.04 44.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 171.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 60.2 ttm -139.79 128.97 23.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 173.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.31 149.14 49.64 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 81.2 p -90.1 -5.6 56.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 111.2 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.61 -39.03 92.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.41 -37.95 87.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.252 176.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.71 -42.68 95.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.246 178.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -65.27 -39.78 93.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.275 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -57.2 -47.77 80.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.214 174.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 55.9 m -60.54 -40.23 90.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.99 -40.37 95.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -65.23 -37.52 87.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.194 178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -64.02 -42.9 96.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 174.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 76.5 mt -62.55 -38.98 92.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.234 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -57.36 -50.72 72.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -58.5 -43.36 89.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.79 -42.83 93.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 64.3 mt -59.19 -43.94 92.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.234 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.43 -43.93 96.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -66.42 -38.21 86.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.41 -47.53 78.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.87 -42.02 77.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.18 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.96 -41.64 86.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.41 79.13 36.83 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -54.58 134.96 64.71 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.706 1.604 . . . . 0.0 111.237 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -165.36 156.15 13.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.59 -37.5 75.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 174.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.63 -52.38 65.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -67.36 -35.36 79.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.209 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.27 -49.3 83.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.29 -45.63 95.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.22 -39.92 95.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.198 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.12 -47.38 86.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.183 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.8 -47.0 95.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 57.8 ttp180 -57.89 -47.24 83.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.37 83.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.191 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.16 -44.7 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.231 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 79.6 t -61.28 -42.75 94.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.183 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -58.57 -47.21 85.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 174.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -57.67 -43.8 85.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.299 176.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -60.25 -40.3 89.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.53 89.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -65.33 -40.15 93.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.154 176.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.21 -50.67 79.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.64 -45.83 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.182 -175.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -63.91 -39.47 94.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.278 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.64 -46.77 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.184 176.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 90.3 mt -57.45 -44.66 85.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -54.8 -45.96 74.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.212 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . 0.484 ' HB1' ' H ' ' C' ' 3' ' ' HIS . . . -57.62 -39.59 77.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 92.5 mt -63.85 -46.03 95.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.273 176.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.51 -46.82 92.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.167 -178.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.87 -40.88 97.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.297 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -67.16 -37.27 83.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.216 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -59.6 -39.75 85.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.19 88.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.149 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -67.08 -37.99 84.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.289 178.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 79.3 mt -61.42 -43.48 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.191 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.68 -44.68 99.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 176.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -61.82 -40.32 94.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.261 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -63.78 -45.07 91.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -60.29 -38.41 83.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.15 -47.78 84.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.222 176.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.9 -38.0 84.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.188 177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.9 -44.71 98.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.206 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.05 -43.1 96.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.72 -39.7 77.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.195 175.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.18 -43.42 95.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 175.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 34.9 mt -58.66 -44.97 90.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -55.03 -46.51 75.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 175.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.23 -37.21 74.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.267 -175.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 47.2 pt -102.64 13.73 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 -173.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.47 -1.9 32.96 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.57 147.37 49.75 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -171.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.16 -24.58 27.53 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 82.6 p -130.9 169.97 15.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.735 0.303 . . . . 0.0 111.246 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -61.86 -29.55 70.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.191 -171.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 10.3 tp -55.89 -23.01 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.246 -177.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 53.0 tp -51.9 -52.24 51.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 175.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.09 -40.25 65.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.198 -172.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.2 -36.43 84.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -175.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 73.5 mtm -74.47 -39.89 62.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.255 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.35 -35.38 69.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.185 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.76 -26.72 62.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.67 -25.54 66.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 -177.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 88' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.11 -35.19 79.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 178.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.41 -38.79 74.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.51 -39.49 77.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.245 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 53.9 tp -71.18 -38.62 72.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.8 -26.46 14.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -174.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -58.18 -22.86 53.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.27 -177.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 83.2 p -112.42 10.93 19.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.198 -177.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 95' ' ' LEU . . . . . . . . . . . . . 51.6 tp -91.74 125.7 36.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.2 -174.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -78.5 149.2 33.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.286 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -130.64 153.65 48.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.947 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 176.249 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.58 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.4 p -70.96 160.18 33.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 111.232 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -129.69 137.01 50.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 90.7 mmm -90.04 149.21 22.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 172.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.43 -148.17 45.07 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -178.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.5 p -123.06 -25.12 4.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 111.217 -172.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.17 -47.56 82.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -160.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -63.8 -49.36 73.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 -173.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.4 mt -81.13 -30.2 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 -172.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.21 -44.99 88.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -53.26 -48.05 68.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.5 m -59.42 -41.28 89.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.0 mt -65.71 -38.4 89.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.241 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.06 -36.44 84.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -58.19 -47.35 83.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 173.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.6 -40.15 96.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -60.99 -57.18 13.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.92 -46.34 89.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.131 -176.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.23 -42.04 93.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.193 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.507 HD13 ' C ' ' A' ' 20' ' ' LEU . 3.2 tm? -63.96 -48.29 77.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.248 178.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -58.91 -44.46 91.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -62.72 -40.93 98.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.246 177.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.1 tp -59.97 -50.24 74.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.234 176.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.33 -41.61 98.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.296 -174.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.64 -41.07 93.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.93 79.5 32.86 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.206 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -57.03 142.95 94.08 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.649 1.566 . . . . 0.0 111.214 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -161.5 158.62 26.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.27 -25.0 67.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -75.15 -54.79 6.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.251 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -73.03 -30.51 63.8 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.073 -171.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 tp -62.91 -28.29 44.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.782 0.325 . . . . 0.0 111.196 -176.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.5 t -83.2 -44.09 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 175.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.83 -39.44 89.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.8 -38.18 81.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.165 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.41 -44.85 71.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.259 178.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -54.66 -47.99 72.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.236 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.94 -38.93 76.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.242 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 84.3 mt -65.12 -43.95 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.87 -42.99 91.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.68 -42.8 97.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.125 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -65.64 -40.21 92.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.253 178.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.34 -39.23 86.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.16 -42.15 90.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -66.22 -42.43 88.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 177.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.9 mt -60.22 -51.6 71.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 50.7 t -64.16 -43.77 97.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.153 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -58.72 -43.78 90.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.58 96.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.5 mt -62.83 -45.14 99.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.244 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -55.08 -44.09 74.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 177.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.24 -46.17 88.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 176.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.3 mt -61.09 -45.55 98.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -176.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.91 -47.53 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -64.93 -38.9 92.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.242 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -64.01 -41.3 97.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.225 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.76 -39.25 93.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.302 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.98 86.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.76 -39.43 93.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 86.5 mt -63.2 -42.68 97.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.207 175.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.8 t -58.87 -43.95 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -61.22 -43.07 99.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.192 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.5 -43.56 96.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.209 176.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.37 -37.73 86.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -58.1 -48.54 79.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 174.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.79 -37.96 86.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 68.6 mt -60.13 -44.14 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.15 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.76 -45.52 94.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.249 178.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.84 -40.5 76.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.207 177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.71 -43.29 90.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.191 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.89 -42.77 99.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -61.16 -35.8 78.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.248 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.18 -58.97 4.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 36.6 pt -81.34 -12.91 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.183 -172.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.69 18.13 48.06 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.42 132.43 46.47 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.74 -13.66 63.68 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.285 -0.726 . . . . 0.0 111.285 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 61.1 p -82.93 169.19 16.3 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.364 0.602 . . . . 0.0 111.052 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -85.51 -24.16 27.43 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.251 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 33.5 pt -60.98 -14.63 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.11 -36.22 76.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 177.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.53 -36.41 83.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.192 -172.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.23 -42.53 17.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.237 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 65.1 mtm -63.66 -41.15 98.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.216 -173.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.65 -37.22 85.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -176.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.12 -46.67 70.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 175.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.11 -38.25 88.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.208 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.483 ' C ' HD23 ' A' ' 88' ' ' LEU . 8.8 tt -59.16 -50.21 74.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.258 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.18 -44.62 94.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -177.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.33 -39.1 74.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.22 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.99 -50.3 74.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.256 176.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.85 -45.87 71.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -60.16 -38.75 84.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.209 -177.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.2 p -68.09 -16.01 63.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 -175.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.441 ' C ' HD23 ' A' ' 95' ' ' LEU . 10.2 tt -51.12 -41.11 59.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -79.94 10.13 4.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 -169.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -126.21 -1.77 7.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 172.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.012 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 -172.199 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.631 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -71.02 160.19 33.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 111.211 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -129.68 136.98 50.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 90.7 mmm -90.03 149.22 22.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 172.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.36 -148.07 45.04 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 67.5 p -123.07 -25.29 4.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 111.16 -172.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.1 -47.56 82.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 -160.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -63.83 -49.32 73.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 -173.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -81.17 -30.21 34.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -172.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.2 -45.01 88.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.153 174.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -53.13 -48.25 68.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.225 176.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 73.4 m -59.37 -41.26 88.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.251 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 72.2 mt -65.64 -38.43 89.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.225 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -64.1 -36.42 83.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -58.24 -47.26 84.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.252 173.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 89.4 mt -63.62 -40.02 95.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -61.16 -57.08 13.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.145 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.94 -46.36 89.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.219 -176.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.12 -42.08 93.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.248 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.514 HD13 ' C ' ' B' ' 20' ' ' LEU . 3.2 tm? -64.03 -48.29 76.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.182 178.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -58.88 -44.38 91.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 -179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -62.8 -40.89 98.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.261 177.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.95 -50.27 74.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 176.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.37 -41.67 98.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.19 -174.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.65 -41.03 93.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.146 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.9 79.52 32.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.245 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -57.04 142.92 94.14 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.742 1.628 . . . . 0.0 111.142 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 93.1 p -161.48 158.61 26.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.28 -25.03 67.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -75.13 -54.84 6.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.195 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -72.95 -30.56 63.95 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.094 -171.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 tp -62.9 -28.31 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.791 0.329 . . . . 0.0 111.132 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 72.8 t -83.22 -44.1 18.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 175.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.77 -39.54 89.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.77 -38.15 81.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.2 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -71.43 -44.86 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 178.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -54.59 -48.01 72.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.245 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.03 -38.89 77.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 83.5 mt -65.16 -43.99 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.117 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.82 -43.01 90.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.62 -42.83 97.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.152 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -65.63 -40.25 92.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 178.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.33 -39.18 86.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.15 90.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -66.27 -42.33 88.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 79.3 mt -60.3 -51.6 71.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.189 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 51.0 t -64.1 -43.9 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -177.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -58.56 -43.91 89.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.229 178.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.55 96.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.242 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.8 -45.22 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.25 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 74.0 mtm180 -55.06 -44.07 74.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.28 -46.18 87.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.154 176.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.15 -45.46 98.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -176.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.95 -47.54 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.19 -179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.04 -38.75 91.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.26 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -64.09 -41.2 97.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.272 176.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.78 -39.29 93.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.251 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.83 -39.92 86.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 177.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.74 -39.49 93.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.11 -42.77 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.205 175.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 45.7 t -58.85 -43.99 89.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -61.28 -42.96 99.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.199 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -63.59 -43.49 96.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.221 176.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.32 -37.84 87.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.19 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -57.9 -48.66 79.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 174.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.97 86.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.141 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.12 -44.07 94.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.81 -45.54 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.198 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.75 -40.57 76.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.222 177.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.74 -43.24 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.221 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 39.5 mt -61.94 -42.76 99.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.192 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -61.13 -35.84 78.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.23 -58.92 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.273 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 pt -81.28 -12.94 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.212 -172.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.63 18.1 48.33 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.37 132.39 46.27 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.73 -13.61 63.75 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 176.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 61.5 p -82.92 169.23 16.26 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 121.419 0.628 . . . . 0.0 111.03 -178.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -85.53 -24.21 27.38 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.208 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 33.4 pt -60.95 -14.6 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.241 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.14 -36.23 77.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.277 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.62 -36.24 83.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.188 -172.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.26 -42.53 17.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.278 -178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' MET . . . . . . . . . . . . . 65.2 mtm -63.73 -41.13 98.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 -173.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.56 -37.31 85.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.07 -46.72 70.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 175.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.1 -38.18 87.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.475 HD23 ' C ' ' B' ' 88' ' ' LEU . 8.8 tt -59.26 -50.18 75.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.18 -44.64 94.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 -176.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.29 -39.2 75.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.92 -50.37 74.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.246 176.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.8 -45.88 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.216 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -60.18 -38.78 84.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.216 -177.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' SER . . . . . . . . . . . . . 53.4 p -68.07 -16.01 63.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 -175.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.435 ' C ' HD23 ' B' ' 95' ' ' LEU . 10.3 tt -51.17 -41.03 59.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -79.95 10.08 4.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.252 -169.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -126.23 -1.64 7.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 172.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.003 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -172.241 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.601 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p -71.05 160.18 33.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.216 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -129.68 137.03 50.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' MET . . . . . . . . . . . . . 90.8 mmm -90.06 149.23 22.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 172.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . 70.36 -148.14 45.14 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 67.4 p -123.02 -25.33 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.769 0.319 . . . . 0.0 111.162 -172.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -57.98 -47.66 82.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.203 -160.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -63.8 -49.32 73.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.196 -173.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 77.5 mt -81.17 -30.19 34.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -172.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.25 -44.94 88.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.149 174.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -53.17 -48.21 68.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 176.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 73.4 m -59.44 -41.28 89.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 72.0 mt -65.65 -38.44 89.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.195 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -64.13 -36.39 83.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -58.2 -47.42 83.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.156 173.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.47 -40.21 96.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.161 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -61.02 -57.11 13.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.98 -46.28 89.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.243 -176.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 97.8 mt -62.12 -42.15 93.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.216 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' LEU . . . . . 0.511 HD13 ' C ' ' C' ' 20' ' ' LEU . 3.2 tm? -63.98 -48.3 76.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 178.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -58.92 -44.38 91.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.208 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -62.76 -40.88 98.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.267 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.03 -50.26 74.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.44 -41.56 98.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.191 -174.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.57 -41.16 93.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.176 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.83 79.53 33.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.238 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -57.07 142.94 94.22 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.667 1.578 . . . . 0.0 111.183 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 93.5 p -161.47 158.62 26.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.209 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -64.18 -25.09 67.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -75.1 -54.82 6.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -72.97 -30.58 63.94 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.04 -171.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 tp -62.86 -28.33 44.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.714 0.292 . . . . 0.0 111.148 -176.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 72.3 t -83.28 -43.97 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.195 175.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.8 -39.55 89.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.66 -38.23 80.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.262 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.36 -44.93 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.177 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -54.58 -48.06 72.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.198 176.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.01 -38.85 76.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.234 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 84.1 mt -65.14 -43.86 95.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.246 177.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.91 -42.98 91.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.62 -42.79 97.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.18 175.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -65.7 -40.28 92.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -60.26 -39.27 86.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.29 90.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 176.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -66.11 -42.34 89.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 177.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 79.5 mt -60.29 -51.64 70.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 51.4 t -64.11 -43.79 97.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.188 -177.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -58.61 -43.86 89.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.28 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.82 -44.53 96.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.204 177.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.75 -45.21 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.261 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -55.04 -44.14 74.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.162 177.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.18 -46.17 88.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.267 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 80.1 mt -61.08 -45.52 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.255 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.93 -47.51 93.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.21 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -65.06 -38.79 91.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.217 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -64.02 -41.22 97.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.264 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.84 -39.33 94.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.187 178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.73 -40.02 86.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.152 177.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.71 -39.46 93.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.104 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.16 -42.71 97.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.219 175.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 45.8 t -58.83 -43.99 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -61.32 -42.92 99.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.175 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -63.68 -43.46 96.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.193 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.32 -37.82 87.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -57.99 -48.56 79.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 174.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.77 -37.97 86.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 69.1 mt -60.12 -44.09 94.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.242 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 68' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.8 -45.57 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.72 -40.62 76.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.69 -43.23 89.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.242 176.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.93 -42.72 99.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.242 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 72' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -61.17 -35.8 78.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.26 -58.96 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.197 177.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 36.5 pt -81.24 -12.99 12.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 -172.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.61 18.13 48.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 76' ' ' GLY . . . . . . . . . . . . . . . -54.45 132.42 46.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -178.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.8 -13.69 63.58 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 60.9 p -82.87 169.24 16.29 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.368 0.604 . . . . 0.0 111.045 -178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -85.59 -24.19 27.28 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.216 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 80' ' ' ILE . . . . . . . . . . . . . 33.5 pt -60.87 -14.7 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.228 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.08 -36.31 77.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.226 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.5 -36.34 83.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 -172.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 83' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.22 -42.6 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.235 -178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 84' ' ' MET . . . . . . . . . . . . . 65.3 mtm -63.64 -41.07 98.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.277 -173.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 85' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.68 -37.22 85.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.215 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 86' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -68.1 -46.64 70.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 175.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.19 -38.16 88.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 88' ' ' LEU . . . . . 0.483 ' C ' HD23 ' C' ' 88' ' ' LEU . 8.8 tt -59.22 -50.25 74.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 179.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 89' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -60.12 -44.69 94.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 90' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -70.27 -39.13 75.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 91' ' ' LEU . . . . . . . . . . . . . 55.3 tp -58.92 -50.33 74.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.277 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -53.88 -45.89 71.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 93' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -60.17 -38.75 84.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 -177.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 94' ' ' SER . . . . . . . . . . . . . 53.4 p -68.13 -16.04 63.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.18 -175.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 95' ' ' LEU . . . . . 0.43 ' C ' HD23 ' C' ' 95' ' ' LEU . 10.3 tt -51.16 -41.03 59.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.181 -179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 96' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -79.99 10.13 4.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.24 -169.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -126.22 -1.68 7.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.239 172.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.98 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -172.242 . . . . . . . . 0 0 . 1 stop_ save_