data_6d6x_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 6d6x _Structure_validation_residue.Date_analyzed 2019-04-26 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 ' 2' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.745 0.307 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -82.68 -81.78 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -78.97 142.47 36.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.3 p -118.57 6.2 11.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.21 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -51.03 -52.72 40.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.117 -173.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.6 mt -69.12 -34.22 74.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.129 -174.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.03 -33.96 74.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.191 176.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -73.48 -34.21 65.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.255 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.01 -42.07 98.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 174.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.59 -29.46 46.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.197 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.6 43.06 9.48 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 p -142.42 142.27 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 111.104 -174.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.7 t -60.65 142.22 91.72 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.82 -10.82 25.32 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.759 1.639 . . . . 0.0 111.175 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.8 p -74.88 -13.47 60.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.247 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.81 145.85 48.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -85.27 176.96 8.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.233 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -58.69 -33.81 70.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 -171.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -68.78 -43.87 74.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -74.12 -31.46 62.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.96 -37.26 87.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.204 174.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.8 -44.39 93.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.184 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.26 -40.49 81.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.244 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.25 -44.71 96.28 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -60.2 -46.74 88.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.784 0.326 . . . . 0.0 111.183 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.3 -41.6 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.53 -47.07 77.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.19 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.46 -34.92 79.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.201 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.48 -40.35 96.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.192 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.8 -40.83 92.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 173.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.33 -44.68 84.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -107.81 25.04 12.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.181 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.7 t-80 -65.5 132.43 95.07 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 -176.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 79.7 Cg_exo -54.46 -33.9 79.45 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.674 1.582 . . . . 0.0 111.266 -174.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -92.44 9.41 34.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.276 -170.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.09 157.52 36.82 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -55.87 -31.67 82.11 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.765 1.643 . . . . 0.0 111.212 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.3 p -99.18 20.01 14.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.231 -176.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.14 142.35 48.42 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -153.37 104.02 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.786 0.327 . . . . 0.0 111.18 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.8 m -60.14 -42.0 93.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.212 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.3 -51.53 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.08 -33.71 72.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.54 -40.41 96.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.93 -43.25 99.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.227 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.58 -46.69 88.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.213 -178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.4 pt -74.03 -25.05 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.19 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.3 m -71.05 -38.56 72.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 175.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.59 -45.63 89.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.05 -43.41 86.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.419 ' O ' ' N ' ' A' ' 56' ' ' ASN . 44.6 t80 -59.97 -58.33 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -57.91 -44.36 86.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.18 -42.22 93.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.252 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.9 mt -87.11 -10.48 52.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.182 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 52' ' ' PHE . 50.8 t30 -73.81 -49.79 23.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.252 174.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -67.25 115.35 25.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 172.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -52.94 -35.71 72.23 Favored 'Trans proline' 0 C--N 1.328 -0.531 0 C-N-CA 121.683 1.588 . . . . 0.0 111.241 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -69.13 -44.73 71.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -177.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -70.88 -35.24 72.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.271 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -62.66 -46.34 88.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.261 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -58.12 -48.24 80.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.8 mt -59.39 -41.64 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -59.64 -50.75 72.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.03 -39.25 89.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.275 -177.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -84.55 -37.04 21.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.244 -171.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -119.74 -46.24 2.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.174 -168.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.38 -173.19 18.63 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.78 -46.73 88.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 111.183 -172.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -50.1 -52.35 35.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.191 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.9 -39.33 90.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.247 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -178.618 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.771 0.32 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -70.38 -59.75 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.23 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -111.32 146.21 37.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.2 p -120.45 9.24 10.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 -177.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -55.19 -51.17 67.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.43 -33.64 74.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -66.57 -36.77 83.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.222 176.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.37 -34.22 72.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.214 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.02 -38.31 88.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.19 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -84.37 -23.97 29.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.72 43.67 8.94 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -145.98 143.52 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 111.185 -176.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.415 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 31.0 t -59.7 138.91 89.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 -177.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 67.3 Cg_exo -55.32 -28.68 63.98 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.775 1.65 . . . . 0.0 111.133 176.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.1 p -77.55 -10.6 59.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 -174.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.04 158.95 32.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -84.53 -176.68 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.251 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.463 ' HA ' HD12 ' A' ' 22' ' ' LEU . 59.6 mp0 -72.34 -23.53 61.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.211 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -64.16 -40.54 96.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -74.2 -31.65 62.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 19' ' ' GLU . 80.3 mt -61.37 -39.92 92.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 172.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.93 -43.48 95.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.198 174.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.6 -45.34 94.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.25 177.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.8 -44.53 96.94 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -63.21 -46.03 88.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 111.199 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -58.67 -43.74 90.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.03 -46.62 77.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.223 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.24 -35.73 80.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.216 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.38 96.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.36 -41.22 89.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.211 174.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.98 -43.85 86.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -106.58 23.1 14.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -64.62 132.07 95.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.237 -176.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -54.48 -34.0 80.05 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.649 1.566 . . . . 0.0 111.186 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -92.32 9.07 35.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 -170.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -108.86 157.48 36.72 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.189 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -55.82 -31.37 80.54 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.644 1.563 . . . . 0.0 111.175 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.4 p -99.23 19.69 14.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -176.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.07 141.2 47.79 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -153.36 103.3 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 0.0 111.194 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.0 m -60.42 -41.97 95.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.211 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.87 -51.71 68.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.04 -33.23 71.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.53 -40.04 95.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.215 175.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.43 -42.84 98.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -59.27 -46.45 88.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 -177.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.2 pt -73.21 -25.11 21.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.207 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.9 m -71.56 -38.84 70.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.243 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.63 -44.16 94.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.267 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.06 84.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -60.19 -54.81 41.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -56.56 -49.47 74.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.38 -41.87 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.1 mt -85.43 -15.88 41.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 -174.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -74.17 -52.34 12.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -67.69 116.42 37.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -52.53 -36.55 71.12 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 121.719 1.612 . . . . 0.0 111.235 -178.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -69.32 -43.84 72.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.256 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.12 -35.77 71.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.226 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -63.34 -43.97 96.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -58.53 -50.56 73.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.8 mt -58.51 -41.32 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -60.06 -54.9 40.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -72.09 -25.92 61.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -175.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -82.57 -41.3 19.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -119.23 -45.74 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.245 -170.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.29 179.41 16.42 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.31 -43.62 96.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.771 0.319 . . . . 0.0 111.139 -176.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -48.35 -51.26 27.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.247 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.2 -41.25 90.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.229 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 -179.249 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.1 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.81 0.338 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -72.61 -61.03 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -109.69 148.19 31.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.21 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.1 p -121.09 10.6 10.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.68 -51.89 67.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.218 -175.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.48 -33.23 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.185 -175.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -68.17 -35.73 78.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -70.45 -35.99 73.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.54 -41.05 96.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.203 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.7 mt -80.06 -28.76 39.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.35 42.72 9.08 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p -141.28 142.76 28.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.351 . . . . 0.0 111.115 -174.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 29.9 t -60.32 138.58 91.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 -178.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 54.1 Cg_exo -56.25 -25.95 58.71 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.731 1.621 . . . . 0.0 111.22 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.3 p -77.19 -10.05 59.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.05 144.73 55.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.8 p30 -83.51 -179.78 7.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.282 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.42 -47.06 76.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.146 -172.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -65.34 -40.85 94.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -71.13 -33.36 70.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.59 -38.67 91.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.26 174.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.61 -43.26 99.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.45 -40.94 79.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.24 -45.55 93.98 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -61.8 -45.41 93.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.213 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.62 -42.62 79.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.65 -46.58 75.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.191 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.21 -35.65 81.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.45 97.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.187 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.9 -40.84 91.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.228 173.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.45 -44.69 84.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -107.91 25.18 11.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.6 t-80 -65.24 132.35 95.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 81.1 Cg_exo -54.51 -33.95 80.2 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.716 1.611 . . . . 0.0 111.189 -174.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -92.56 9.57 34.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 -170.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.51 157.59 36.97 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.186 176.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -56.04 -31.41 82.48 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.551 1.501 . . . . 0.0 111.25 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.8 p -99.14 19.91 14.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.11 142.24 48.4 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -153.46 103.94 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 0.0 111.19 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.7 m -60.12 -42.21 94.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -173.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.25 -51.49 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.239 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.01 -33.21 71.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -63.01 -40.21 97.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.74 -43.2 99.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 175.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.34 -46.36 88.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 pt -74.27 -24.63 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.2 m -71.16 -39.21 72.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 175.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -64.13 -44.15 93.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.216 170.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.28 -46.07 83.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 56' ' ' ASN . 61.5 t80 -60.04 -56.74 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -54.31 -47.37 72.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.217 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.1 mt -66.73 -41.09 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.4 mt -87.29 -7.22 58.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -176.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' PHE . 40.1 t30 -81.19 -58.3 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 175.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -63.08 117.19 30.7 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 175.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -52.27 -35.92 65.75 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.711 1.607 . . . . 0.0 111.136 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -68.76 -43.93 74.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.274 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.38 -37.61 71.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.244 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 61' ' ' ARG . 40.0 ttp-105 -64.0 -44.45 92.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.179 177.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.02 -48.47 78.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.7 -43.13 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.275 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -60.16 -50.42 73.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.238 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.87 -36.74 84.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -85.21 -40.23 16.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.214 -173.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -117.01 -45.31 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 -167.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.02 -177.78 17.19 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.88 -48.76 75.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 111.182 -174.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.56 -47.61 57.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.26 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.66 96.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.261 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.248 -179.809 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.805 0.336 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -69.22 -59.7 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 178.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -108.38 145.7 34.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.238 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.8 p -117.41 8.2 12.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.39 -49.34 72.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -174.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.8 mt -72.48 -31.14 65.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 -175.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -70.69 -33.23 70.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 176.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -71.24 -36.4 71.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 177.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.52 -42.74 99.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.283 176.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -77.98 -29.51 49.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.21 42.54 10.52 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.9 p -141.11 141.7 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.714 0.292 . . . . 0.0 111.259 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.6 t -63.75 143.66 98.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.26 -13.65 36.31 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 121.662 1.575 . . . . 0.0 111.282 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.2 p -79.49 -9.98 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.261 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.85 147.75 49.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.207 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -83.45 -178.14 6.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.0 -44.69 94.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.289 -170.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -68.46 -39.72 81.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -67.37 -36.72 81.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.72 -40.03 95.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.253 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.08 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.189 175.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.32 -39.51 83.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.221 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.36 -45.83 93.78 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -60.42 -46.9 88.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.681 0.277 . . . . 0.0 111.136 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -57.46 -41.95 81.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -177.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.16 -46.39 81.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.23 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.95 -36.09 82.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.201 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.03 96.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.264 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.82 -41.33 91.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 174.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -57.26 -45.37 84.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -104.65 21.67 16.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.23 -176.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.7 t-80 -65.35 132.77 95.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 -175.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 78.7 Cg_exo -54.53 -33.83 79.85 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.662 1.575 . . . . 0.0 111.227 -174.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -92.03 9.56 32.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.253 -170.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.17 157.11 38.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.218 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -55.96 -31.5 82.14 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.806 1.671 . . . . 0.0 111.215 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.8 p -99.4 20.62 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.263 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.71 141.26 47.62 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -153.04 102.67 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 111.174 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.4 m -60.3 -41.84 94.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.177 -173.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.91 -52.16 66.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.198 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.0 -33.83 72.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.28 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -62.16 -40.42 95.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.43 -42.85 98.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 176.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.07 -45.58 92.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.251 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.4 pt -73.85 -25.49 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.5 m -71.42 -39.19 71.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 175.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.82 -48.99 79.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.169 170.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.43 -45.73 80.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.266 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ASN . 65.9 t80 -59.89 -54.18 49.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.21 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -51.62 -48.06 63.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.249 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.7 mt -67.19 -43.03 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.4 mt -86.52 -7.2 58.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 -174.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.7 t30 -81.71 -57.49 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 174.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -63.9 116.58 28.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -52.11 -36.73 67.23 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 121.676 1.584 . . . . 0.0 111.185 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -68.56 -47.02 67.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.27 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.89 -37.9 82.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.5 ttp85 -60.68 -48.12 83.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.157 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.26 -40.32 93.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.0 mt -61.15 -44.57 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -62.51 -50.06 72.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.214 175.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -61.53 -35.86 78.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -175.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -87.68 -41.21 13.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.189 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -115.2 -47.29 2.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.226 -166.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.9 -175.53 19.07 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.7 tp -64.92 -48.79 72.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 111.121 -172.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.8 -47.08 51.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.245 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.56 92.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.251 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.21 -179.205 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 32.1 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.829 0.347 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.64 -49.34 66.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -121.49 145.28 48.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.2 p -113.91 2.99 15.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -51.64 -50.55 60.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -173.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.8 mt -73.9 -31.97 63.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.289 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -68.5 -33.94 75.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.214 174.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -73.6 -34.64 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.95 -41.76 98.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.222 175.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.415 ' HB2' HG12 ' A' ' 13' ' ' VAL . 80.0 mt -79.38 -29.35 42.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.51 42.85 9.79 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.415 HG12 ' HB2' ' A' ' 11' ' ' LEU . 9.3 p -140.15 142.18 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 111.197 -174.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.6 t -62.43 138.28 96.38 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 -176.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -54.85 -27.65 54.2 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.764 1.643 . . . . 0.0 111.23 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.0 p -70.58 -16.51 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.32 143.85 55.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -84.59 175.97 8.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.212 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 -58.2 -33.34 69.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.194 -171.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.88 -44.37 73.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -74.27 -30.93 62.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.224 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.71 -37.11 85.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 175.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.53 -43.99 96.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.239 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.63 -40.52 83.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.49 -44.55 96.63 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 175.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -60.28 -47.29 86.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.271 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -56.34 -42.28 77.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.195 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.38 -52.03 66.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.21 -35.44 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.1 99.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.206 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.93 -40.24 87.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 174.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.55 -44.51 85.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -107.03 23.39 14.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.199 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -65.77 133.16 94.97 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.231 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -54.12 -33.65 74.96 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.695 1.596 . . . . 0.0 111.181 -174.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -92.89 11.91 25.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -171.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -111.02 156.75 40.37 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.18 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -55.72 -31.97 82.21 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.724 1.616 . . . . 0.0 111.223 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.6 p -99.61 21.66 11.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.07 143.14 48.64 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -152.15 101.6 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.21 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.6 m -59.18 -41.91 89.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.215 -174.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.65 -51.84 68.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -70.47 -34.7 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -60.67 -40.44 92.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.83 -44.22 90.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.223 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.33 -45.09 94.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.7 pt -74.09 -25.2 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.252 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.7 m -71.78 -39.63 69.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.26 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.4 -45.07 89.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.237 171.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.18 81.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' ASN . 59.3 t80 -59.41 -53.52 57.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 178.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -49.45 -49.24 46.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.22 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 90.0 mt -66.74 -43.11 90.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.7 mt -87.43 -5.36 58.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.5 t30 -81.0 -57.29 3.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 174.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -65.44 116.49 31.67 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -51.63 -36.58 61.25 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.664 1.576 . . . . 0.0 111.208 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -68.4 -45.43 72.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 -178.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.2 -37.43 80.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -60.39 -47.18 87.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.255 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.64 -40.6 95.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.261 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.1 -42.44 95.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 176.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -61.61 -49.45 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 175.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -63.21 -33.89 76.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 -175.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -90.71 -42.47 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -112.85 -46.11 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.254 -167.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.99 -177.61 18.32 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 173.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.478 ' C ' HD23 ' A' ' 69' ' ' LEU . 9.8 tt -58.43 -49.94 75.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 111.26 -174.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -55.04 -40.55 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.74 -45.36 78.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.256 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.182 -179.535 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 66.6 t . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 120.783 0.325 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -92.67 -60.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -96.03 142.5 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.219 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.8 p -123.89 10.58 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.226 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -54.6 -51.77 64.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.75 -34.22 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.262 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -69.84 -36.5 75.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.16 -36.41 74.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.07 -39.01 93.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.123 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.4 mt -77.19 -30.6 54.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.12 42.16 9.7 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -143.3 140.75 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 111.182 -175.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -64.45 142.63 98.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.97 -9.91 24.1 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.733 1.622 . . . . 0.0 111.128 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.7 p -71.56 -16.62 62.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.275 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.1 148.09 42.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.7 p30 -84.82 174.64 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.3 mp0 -60.22 -31.83 70.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 -170.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -68.82 -42.69 76.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -74.29 -30.52 62.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.43 -35.59 80.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 175.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.91 -45.39 90.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 171.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.1 -39.94 83.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 176.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.31 -44.06 96.82 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -60.06 -46.41 89.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.763 0.316 . . . . 0.0 111.151 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -56.47 -42.22 77.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.56 -43.84 79.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.18 86.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.74 96.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.258 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.02 -40.88 82.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 173.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.88 -44.53 86.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.24 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -106.13 22.81 15.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 59.2 t-80 -65.69 133.69 95.16 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.179 -177.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 76.9 Cg_exo -54.02 -33.36 72.81 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.684 1.59 . . . . 0.0 111.172 -174.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -93.04 13.23 21.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 -171.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -112.01 156.12 42.31 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.196 176.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -55.89 -32.06 83.77 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.68 1.587 . . . . 0.0 111.176 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.5 p -99.37 21.64 11.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.53 143.87 48.72 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -151.18 97.42 2.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.761 0.315 . . . . 0.0 111.223 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.8 m -58.69 -41.35 86.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.244 -173.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.7 -55.37 35.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.11 -32.18 71.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -57.48 -40.33 78.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.233 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.85 -37.07 73.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 174.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.21 -41.94 93.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.1 pt -72.89 -25.19 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.4 m -69.68 -39.66 76.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.285 173.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.11 -47.7 83.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 169.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.69 -43.35 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 176.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -58.46 -55.95 28.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.106 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -52.77 -50.54 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.234 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.39 -44.76 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.245 -176.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.2 mt -89.01 -11.36 44.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.234 -171.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -77.13 -50.42 13.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.181 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -67.93 115.84 32.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.26 172.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -52.39 -36.59 69.74 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.744 1.629 . . . . 0.0 111.171 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -70.13 -47.7 60.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.63 -35.46 78.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -59.5 -46.61 88.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -64.72 -40.6 95.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.0 mt -59.11 -43.89 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.225 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -60.01 -50.56 73.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -70.81 -33.15 70.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.229 -173.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -84.59 -36.78 21.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 -175.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -118.97 -46.23 2.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.285 -170.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.18 177.94 15.15 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.8 -44.96 96.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.89 0.376 . . . . 0.0 111.187 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -48.83 -48.83 41.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.24 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.74 92.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -178.504 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.806 0.336 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.66 -60.75 2.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.253 -176.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -109.57 148.37 31.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.179 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.5 p -117.17 4.49 12.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.76 -52.1 57.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 -172.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.73 -33.91 74.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.195 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -68.59 -33.97 74.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.212 176.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -74.29 -33.79 63.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.74 -41.54 99.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.215 174.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.0 mt -77.67 -30.15 51.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.0 42.19 9.77 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -143.39 140.0 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.865 0.365 . . . . 0.0 111.237 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.7 t -63.61 143.33 97.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.95 -10.67 26.53 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.674 1.582 . . . . 0.0 111.169 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.9 p -76.84 -11.82 59.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 173.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.8 148.15 46.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -82.58 -178.62 7.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.61 -41.98 95.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -171.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.84 -40.27 83.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -71.43 -33.71 69.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.229 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.95 -39.63 94.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.56 -43.22 99.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 174.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -57.71 -41.28 81.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.79 -45.6 93.3 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -61.27 -47.43 86.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.757 0.313 . . . . 0.0 111.109 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -57.11 -42.0 80.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.88 -47.45 77.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.72 -33.97 75.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.139 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.96 97.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.185 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -72.52 -39.51 67.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.286 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.09 -42.31 85.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -110.07 21.09 17.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 -176.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -51.4 133.93 33.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.249 -173.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -54.7 -34.97 86.01 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 121.737 1.625 . . . . 0.0 111.214 -176.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -92.47 4.49 53.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.225 -173.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -82.75 130.54 57.8 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -52.34 -37.69 71.82 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.71 1.607 . . . . 0.0 111.194 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.0 p -115.18 36.53 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.17 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.39 -164.72 40.43 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -156.46 100.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 111.206 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.3 m -61.87 -42.25 98.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.16 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.97 -48.6 80.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.195 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -66.49 -36.43 82.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.197 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -57.01 -41.94 79.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.81 -39.45 93.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -63.82 -44.64 92.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.4 pt -75.01 -23.56 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.8 m -70.65 -38.86 73.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -63.16 -44.29 95.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.254 170.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.53 82.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.243 176.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.28 -56.12 25.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -54.45 -47.74 72.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.179 -176.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.0 mt -66.6 -41.97 89.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.226 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.6 mt -87.18 -8.95 56.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 -175.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -81.47 -57.93 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 174.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.0 121.25 60.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 175.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -54.02 -42.84 63.52 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.725 1.617 . . . . 0.0 111.167 -175.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -66.46 -50.31 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.205 -177.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.22 -39.9 92.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -60.44 -47.89 84.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -62.43 -39.5 93.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.25 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.91 -43.96 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.193 177.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.02 -50.62 71.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 175.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.02 -36.58 82.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -175.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -86.74 -39.91 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 -173.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -117.23 -45.75 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -167.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.12 -177.19 17.79 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.7 tp -63.66 -46.93 83.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.332 . . . . 0.0 111.182 -174.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.58 -47.45 49.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.242 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.17 -44.51 91.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.222 177.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 -179.375 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.837 0.351 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -71.75 -59.22 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.249 -176.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -111.88 145.57 39.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.1 p -120.77 11.15 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -55.86 -53.07 61.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.52 -33.35 74.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 -175.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -68.75 -37.43 79.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.303 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.82 -36.94 73.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.9 -39.37 94.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 26' ' ' TYR . 86.9 mt -78.15 -31.01 49.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.183 177.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.14 42.78 8.5 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.6 p -141.39 142.62 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.354 . . . . 0.0 111.212 -175.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.1 t -60.99 137.99 94.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.231 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -55.76 -26.73 58.21 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.653 1.569 . . . . 0.0 111.194 175.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.0 p -73.86 -13.37 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.97 144.85 55.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -84.09 175.68 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.191 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -59.38 -31.78 69.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 -171.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -69.43 -44.46 71.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.149 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -74.2 -30.9 62.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.45 HD13 ' HB3' ' A' ' 55' ' ' LEU . 94.3 mt -66.94 -35.94 81.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 175.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -59.29 -45.09 92.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 171.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.54 -39.25 79.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.51 -44.14 95.58 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.418 ' HA ' HD22 ' A' ' 11' ' ' LEU . 49.0 t80 -61.4 -45.33 94.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.795 0.331 . . . . 0.0 111.204 177.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -56.92 -42.98 80.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.69 -44.55 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.53 87.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.23 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.21 -40.95 95.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.77 -41.36 83.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.277 174.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -58.1 -45.52 87.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.167 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -104.38 22.2 15.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.201 -176.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 59.2 t-80 -65.53 133.64 95.31 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.221 -176.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 77.0 Cg_exo -54.18 -33.41 74.61 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.771 1.647 . . . . 0.0 111.105 -174.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -93.01 12.32 24.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.186 -171.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.14 156.1 41.53 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.209 176.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -55.59 -32.11 81.82 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.695 1.597 . . . . 0.0 111.21 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.8 p -99.3 21.92 11.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.02 143.37 48.63 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -150.93 97.1 2.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 111.23 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.5 m -58.99 -41.49 87.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.18 -173.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.23 -55.02 40.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.226 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.25 -32.03 70.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -58.48 -36.6 74.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.209 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -75.19 -36.38 61.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 174.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.56 -42.76 95.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 pt -72.04 -22.03 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.1 m -72.99 -37.68 66.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -65.59 -41.62 92.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 168.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.94 -45.59 78.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.256 175.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 56' ' ' ASN . 59.8 t80 -60.06 -58.08 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 178.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -53.84 -47.44 70.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.4 mt -66.16 -43.0 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.158 -178.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.45 ' HB3' HD13 ' A' ' 22' ' ' LEU . 96.7 mt -89.65 -8.89 51.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -173.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.7 t30 -78.23 -53.92 6.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.188 174.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -66.82 115.81 28.72 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 173.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -52.24 -35.8 65.0 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.698 1.599 . . . . 0.0 111.112 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -68.32 -46.84 69.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.123 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -68.31 -36.21 78.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.221 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -59.99 -46.26 90.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -63.37 -41.65 98.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.58 -41.84 89.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.28 -50.96 70.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.22 174.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.58 -34.64 78.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.254 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -87.64 -41.27 13.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.297 -174.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -118.21 -46.23 2.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 -165.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.69 -175.56 20.45 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 171.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.51 ' C ' HD23 ' A' ' 69' ' ' LEU . 8.0 tt -65.36 -54.49 28.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.8 0.333 . . . . 0.0 111.179 -171.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -59.78 -33.3 71.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.24 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.53 -40.46 97.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.229 173.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 177.678 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.833 0.349 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -68.34 -62.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -109.04 145.5 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.194 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.4 p -118.97 7.11 11.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.231 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.58 -52.89 63.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.258 -174.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.47 -34.0 77.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.252 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -69.66 -36.0 75.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.179 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -71.77 -35.56 70.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.37 -38.82 92.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 26' ' ' TYR . 79.6 mt -83.67 -28.5 28.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 177.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.51 43.86 8.25 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p -142.26 140.98 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 111.214 -175.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.2 t -63.95 143.35 98.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.62 -12.23 28.9 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 121.616 1.544 . . . . 0.0 111.158 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.8 p -73.43 -15.21 61.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 174.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.402 ' HB1' ' HB2' ' A' ' 21' ' ' GLU . . . -73.63 148.36 42.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.168 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.1 p30 -83.42 174.56 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.244 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.3 mp0 -60.16 -31.2 69.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.88 -44.27 73.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.218 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 80.0 mm-40 -73.65 -32.14 63.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 178.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 55' ' ' LEU . 94.0 mt -65.79 -36.16 82.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 175.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.33 -44.87 95.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 172.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -57.67 -38.28 74.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.66 -44.82 93.86 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.407 ' HA ' HD22 ' A' ' 11' ' ' LEU . 64.2 t80 -62.71 -47.09 85.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.769 0.318 . . . . 0.0 111.252 177.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -52.44 -43.25 64.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.61 -54.39 32.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.153 175.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.94 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.0 98.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.265 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.68 -40.74 76.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.26 -43.88 88.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.255 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -107.72 16.83 23.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -51.98 137.01 36.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 -176.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -51.92 -35.23 59.36 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.621 1.547 . . . . 0.0 111.244 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -89.26 -8.07 54.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.28 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -68.25 124.43 89.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.23 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -52.85 -36.77 75.56 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.727 1.618 . . . . 0.0 111.152 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.0 p -113.11 35.32 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.233 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.29 -162.98 37.59 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -161.29 108.85 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 0.0 111.3 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.4 m -63.27 -44.21 95.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.218 -173.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.59 -47.49 85.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -66.65 -36.29 82.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.255 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -58.3 -41.34 84.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.11 -39.35 93.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.99 -44.49 92.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.239 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.5 pt -76.7 -19.65 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 57.7 m -72.85 -37.41 67.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 174.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -63.63 -41.85 98.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.266 168.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.22 -44.13 83.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 174.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -60.04 -59.99 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -54.69 -44.81 73.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 -176.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.3 -46.43 87.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.443 ' HB3' HD13 ' A' ' 22' ' ' LEU . 97.4 mt -88.8 -5.72 57.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.268 -172.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -80.59 -55.4 4.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.2 172.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -68.71 115.72 33.54 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.264 173.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -52.28 -35.67 64.95 Favored 'Trans proline' 0 C--N 1.328 -0.544 0 C-N-CA 121.661 1.574 . . . . 0.0 111.153 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -68.37 -45.67 72.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.224 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -70.0 -33.73 72.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.197 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.6 ttp85 -59.39 -45.98 89.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.17 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.77 -42.08 97.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.224 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.4 mt -60.29 -39.89 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.283 177.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -62.6 -50.25 72.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.54 -26.61 67.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 -175.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -96.13 -43.28 7.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 -174.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -111.12 -51.49 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.199 -168.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 139.24 -176.38 21.04 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 173.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.484 ' C ' HD23 ' A' ' 69' ' ' LEU . 8.3 tt -62.35 -53.96 47.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.803 0.335 . . . . 0.0 111.214 -170.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -54.36 -45.64 72.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -175.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.2 -37.91 87.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.245 -177.068 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.79 0.329 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -69.26 -59.83 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -108.38 146.41 33.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.9 p -117.65 8.36 12.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.284 -177.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -55.84 -49.56 72.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.179 -174.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.5 mt -71.54 -31.63 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.227 -175.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.402 ' CE2' ' HA ' ' A' ' 15' ' ' PRO . 78.0 m-85 -70.51 -33.42 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.243 176.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -71.93 -36.38 69.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 176.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.8 -41.59 97.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.193 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.3 mt -79.82 -29.45 40.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.229 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.89 42.49 11.04 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.0 p -139.69 142.03 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.873 0.368 . . . . 0.0 111.246 -174.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.0 t -64.03 144.13 98.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.223 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.402 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 61.6 Cg_endo -69.13 -13.26 35.93 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.701 1.601 . . . . 0.0 111.195 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.7 p -78.4 -10.93 59.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.37 145.34 51.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -84.46 -178.59 6.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -55.17 -48.44 73.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.152 -173.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.08 -40.32 94.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.199 -175.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -70.94 -33.53 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.95 -39.45 94.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.171 173.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.09 -42.5 99.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.246 175.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.62 -40.35 78.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.262 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.1 -45.54 93.8 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 175.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -61.8 -45.01 95.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 111.24 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -58.09 -42.93 86.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.17 -44.9 82.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.09 77.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.203 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.82 82.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.73 -35.99 79.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 173.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.36 -41.71 93.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -124.19 59.89 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.443 ' HB3' ' HB2' ' A' ' 37' ' ' LYS . 55.2 t-80 -72.73 137.9 80.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 -178.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -52.28 -34.87 61.79 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.67 1.58 . . . . 0.0 111.249 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -96.11 9.01 42.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -175.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' HB2' ' HB3' ' A' ' 34' ' ' HIS . 85.1 tttt -83.26 124.65 75.86 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.57 -16.87 23.92 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.635 1.557 . . . . 0.0 111.187 -174.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.2 p -116.88 18.31 14.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.9 154.89 17.77 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -104.79 114.49 28.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 0.0 111.199 -178.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.4 m -57.45 -35.8 70.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.95 -33.26 75.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -72.17 -34.8 68.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.215 174.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -60.44 -40.93 92.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.245 171.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.82 -42.98 94.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.192 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.84 -47.7 83.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.8 pt -74.04 -23.77 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.259 -177.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.2 m -71.27 -39.33 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.24 175.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -63.73 -43.93 95.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.287 170.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.93 -45.63 86.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.62 -56.73 17.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -54.8 -49.51 70.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.225 -176.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.31 -42.01 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.254 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -86.93 -9.27 56.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.275 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -80.81 -55.57 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.23 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -63.61 116.48 26.51 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -51.98 -35.09 59.44 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.685 1.59 . . . . 0.0 111.208 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -67.84 -58.18 5.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.17 -35.96 78.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.234 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -60.01 -49.94 75.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.285 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -62.43 -39.27 92.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.2 -44.08 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.271 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -63.01 -50.7 69.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -61.23 -36.21 79.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 -175.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -87.43 -41.04 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -116.85 -45.43 2.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 -165.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.54 -175.46 18.98 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 173.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.4 tp -64.47 -46.27 83.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.766 0.317 . . . . 0.0 111.177 -172.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.55 -47.77 57.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.38 90.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.107 179.518 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.773 0.32 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -68.56 -58.06 4.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -117.55 147.38 42.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.3 p -122.84 10.55 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.236 -178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.6 -50.24 72.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.222 -175.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.07 -33.17 74.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 -177.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -68.4 -36.39 79.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.285 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.41 -36.8 74.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.234 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.59 -40.18 96.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 176.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.5 mt -80.06 -28.79 39.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.44 43.13 8.09 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.7 p -144.68 135.47 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.221 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.4 t -69.66 142.43 91.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -69.47 -13.93 36.18 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 121.646 1.564 . . . . 0.0 111.186 176.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.5 p -78.0 -11.42 59.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.261 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.34 149.6 47.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -79.77 -179.53 6.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.161 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -61.35 -44.46 97.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 -169.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -68.07 -39.01 83.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.163 -177.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -69.89 -33.0 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.231 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.31 -41.38 96.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.271 173.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.09 -38.63 83.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.24 -41.57 93.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 174.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.93 -38.32 94.1 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -61.09 -44.7 96.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.821 0.344 . . . . 0.0 111.183 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -76.44 -37.31 57.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 -177.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -55.8 -55.58 30.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.81 99.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.249 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.55 85.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.9 mt -76.2 -35.28 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.02 -40.05 79.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.197 -176.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -116.7 26.28 9.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.218 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.9 t-80 -52.23 136.07 40.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 -175.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 99.7 Cg_exo -53.9 -35.68 80.79 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.723 1.615 . . . . 0.0 111.238 -177.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -92.54 6.25 47.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.276 -174.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -83.34 128.86 62.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -52.74 -37.87 76.46 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.586 1.524 . . . . 0.0 111.195 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.2 p -115.37 37.43 3.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.233 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.33 -161.66 37.62 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 176.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -159.98 108.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 111.165 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.8 m -64.27 -42.16 96.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -174.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.22 -40.56 94.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -70.39 -36.35 74.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.187 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.427 ' HA ' HG12 ' A' ' 48' ' ' ILE . 74.2 t80 -58.55 -41.59 85.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 176.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -63.9 -38.66 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.5 -45.37 91.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.227 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.427 HG12 ' HA ' ' A' ' 45' ' ' PHE . 44.3 pt -78.3 -18.45 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.206 -178.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.2 m -67.13 -41.02 86.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 172.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -65.3 -42.76 92.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 171.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.37 87.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 175.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.24 -60.26 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.22 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -55.37 -48.72 73.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.192 -175.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.71 -42.57 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -89.94 -8.07 52.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.283 -176.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -79.21 -53.4 7.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.177 172.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -64.97 116.69 31.99 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 174.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -52.21 -36.61 67.87 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.745 1.63 . . . . 0.0 111.192 -177.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -67.91 -51.1 51.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -66.73 -33.48 75.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -58.04 -48.95 78.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -68.96 -38.3 79.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.188 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.27 -40.07 84.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.172 176.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -61.71 -48.11 82.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.201 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -83.83 0.15 48.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.213 -171.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -119.46 -44.22 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -101.83 -45.77 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.283 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.57 177.37 14.85 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.01 -50.19 74.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 111.196 -177.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -47.6 -47.53 28.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.195 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.49 -56.2 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.212 -174.409 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.846 0.355 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -73.67 -59.88 2.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -111.14 147.25 35.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.7 p -119.88 9.01 11.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.71 -51.54 68.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.231 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.9 -32.09 72.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.206 -176.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -69.38 -35.52 75.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.95 -35.33 74.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.02 -41.56 98.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.148 175.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.8 mt -78.56 -28.43 45.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.35 41.97 9.68 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -144.61 138.34 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.755 0.312 . . . . 0.0 111.219 -176.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.1 t -65.55 141.07 97.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.203 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.68 -11.57 26.12 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.722 1.614 . . . . 0.0 111.102 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.2 p -72.97 -17.15 61.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.268 175.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.73 157.91 24.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.168 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -81.52 179.13 7.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -69.06 -30.2 68.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -171.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -63.29 -39.87 95.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.71 -35.44 72.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.5 -38.19 90.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 177.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.6 -48.0 82.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -63.32 -34.11 76.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.225 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.98 -45.59 93.57 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.276 -0.729 . . . . 0.0 111.276 173.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.33 -46.3 90.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.135 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -55.96 -42.31 76.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.194 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.89 -45.89 76.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.252 177.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.64 81.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.11 96.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.26 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.99 -40.74 91.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 173.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.48 -44.71 85.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -107.29 24.45 12.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.286 -177.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.76 133.07 94.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.175 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -54.32 -33.67 77.09 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.629 1.553 . . . . 0.0 111.186 -174.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -92.97 11.89 25.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.268 -171.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -111.45 156.8 40.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.225 176.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -55.86 -31.76 82.4 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.757 1.638 . . . . 0.0 111.244 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.8 p -99.37 19.89 14.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.37 142.73 48.47 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -153.82 104.11 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 111.203 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.9 m -60.27 -43.06 96.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -173.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.16 -51.07 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.92 -32.14 70.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.61 -40.16 96.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.278 176.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.56 -38.89 88.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.44 -45.99 91.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 pt -74.44 -25.07 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.7 m -70.42 -39.92 74.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 175.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -62.52 -47.86 82.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.196 170.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.55 -45.58 73.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.269 177.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' ASN . 61.3 t80 -59.99 -54.97 39.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.148 177.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -52.03 -48.04 64.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.238 -177.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.4 mt -67.3 -43.71 87.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.144 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.9 mt -86.85 -6.9 58.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.208 -174.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.5 t30 -81.77 -57.16 3.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.278 173.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -63.81 116.69 28.72 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.232 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -51.79 -36.89 64.23 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.733 1.622 . . . . 0.0 111.152 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -68.26 -47.63 67.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.2 -37.33 80.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.228 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -60.02 -46.72 88.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -63.36 -40.44 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.312 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.17 -43.86 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.222 176.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -62.89 -50.88 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.196 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.23 -37.17 82.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.26 -176.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -85.81 -39.27 17.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 -173.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -118.24 -45.44 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 -167.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 126.68 -175.86 17.8 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 173.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.37 -44.5 96.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.776 0.322 . . . . 0.0 111.135 -173.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -49.45 -50.32 41.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.291 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.43 90.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 -179.037 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.787 0.327 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -65.12 -56.62 11.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -112.85 145.97 39.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.207 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.6 p -116.44 5.74 13.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -54.92 -53.0 61.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.2 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.72 -31.92 71.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 -175.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -70.97 -34.11 71.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 177.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.31 -36.1 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 176.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.25 -41.38 98.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.228 176.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.2 mt -79.83 -28.99 40.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 178.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.14 43.27 9.83 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 p -141.37 142.91 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.346 . . . . 0.0 111.103 -173.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -62.42 143.21 96.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -70.89 -12.06 30.23 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.647 1.565 . . . . 0.0 111.194 178.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.7 p -76.32 -12.64 60.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.23 147.09 44.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.5 p30 -87.22 175.12 8.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 176.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -58.47 -32.54 68.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 -171.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.67 -44.16 74.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.197 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -73.82 -31.32 63.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.65 -36.63 84.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.67 -44.79 93.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 172.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.18 -40.25 81.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.85 -44.95 95.66 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.66 -46.29 90.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.737 0.303 . . . . 0.0 111.145 177.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -55.93 -41.95 75.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.213 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.28 -46.79 75.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.11 -35.05 79.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.234 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.04 95.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.227 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.71 -40.9 92.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 173.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.26 -44.97 84.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.218 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -107.71 25.22 11.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 -177.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.15 132.17 95.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -176.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -54.45 -33.93 79.5 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 C-N-CA 121.694 1.596 . . . . 0.0 111.19 -174.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -92.64 9.64 33.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 -170.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.51 157.61 36.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -55.84 -31.56 81.49 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.715 1.61 . . . . 0.0 111.178 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.8 p -98.9 19.38 15.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.232 -176.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.31 142.41 48.36 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -153.65 104.03 2.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.904 0.383 . . . . 0.0 111.273 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.0 m -60.0 -42.08 93.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.215 -173.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.39 -51.51 69.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.99 -33.08 71.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.151 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -63.0 -40.59 98.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.215 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.46 -43.31 99.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 175.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -59.35 -46.42 88.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.15 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.1 pt -74.3 -24.23 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.27 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.4 m -71.71 -38.75 70.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 175.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.74 -44.33 93.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.248 170.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.82 85.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 176.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' ASN . 48.5 t80 -59.85 -59.34 5.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 178.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -54.03 -49.45 68.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 -175.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.7 -41.43 92.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.225 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.5 -11.13 46.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -175.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.9 t30 -78.31 -53.28 7.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 176.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -65.68 115.87 26.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -52.38 -36.16 67.88 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 121.689 1.592 . . . . 0.0 111.28 -177.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -68.81 -46.61 68.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.75 -36.44 78.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -61.96 -47.18 86.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.237 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -61.97 -38.22 87.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.242 179.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.46 -48.96 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.19 174.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -59.63 -48.53 81.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -64.08 -32.55 74.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -104.66 -67.72 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -175.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -71.27 -39.94 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -170.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.68 175.66 14.27 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.31 -45.88 71.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.735 0.302 . . . . 0.0 111.227 -174.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -48.75 -48.33 40.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.61 -41.74 95.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.223 -179.339 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 CA--C 1.523 -0.087 0 CA-C-O 120.778 0.323 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -72.01 -61.06 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -109.31 147.15 33.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.292 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.7 p -119.48 8.56 11.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.5 -51.12 69.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -174.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.26 -32.18 72.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.26 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -70.18 -34.49 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.37 -35.92 73.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 176.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.24 -41.59 98.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 176.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -78.55 -29.53 46.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.215 178.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.83 41.94 10.26 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.3 p -143.74 139.62 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 0.0 111.163 -176.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.2 t -64.05 143.93 98.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.3 -11.15 28.3 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.676 1.584 . . . . 0.0 111.22 178.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.3 p -76.46 -11.73 59.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.255 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.62 149.52 45.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -83.29 -178.6 7.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.72 -44.14 96.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -170.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -68.14 -39.32 82.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -67.98 -36.44 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.58 -39.86 95.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 174.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.67 -43.69 98.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 174.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.32 -38.87 81.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.222 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.21 -46.23 93.07 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -60.23 -46.28 90.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 111.216 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -57.16 -41.98 80.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.93 -45.5 81.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 177.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.48 -36.09 82.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.24 96.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.14 -40.73 90.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 173.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.36 -44.65 84.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.187 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -107.11 24.02 13.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.301 -177.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -65.8 132.91 94.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.239 -177.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -54.08 -33.96 75.9 Favored 'Trans proline' 0 C--N 1.328 -0.543 0 C-N-CA 121.672 1.581 . . . . 0.0 111.208 -174.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -92.35 9.95 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 -170.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.18 156.81 38.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 176.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -55.88 -31.73 82.44 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.755 1.637 . . . . 0.0 111.198 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.6 p -99.36 19.7 15.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -176.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.13 142.6 48.5 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -153.82 103.94 2.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.821 0.343 . . . . 0.0 111.147 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.5 m -59.97 -43.37 95.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -173.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.98 -51.09 71.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.298 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.96 -31.96 69.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -62.74 -39.99 95.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.74 -38.65 87.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.247 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.49 -46.04 91.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 pt -74.22 -25.32 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.5 m -70.51 -39.99 73.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.203 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.58 -47.54 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.259 170.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.09 -46.15 71.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.22 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.404 ' O ' ' N ' ' A' ' 56' ' ' ASN . 67.8 t80 -60.0 -54.12 49.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 177.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -52.13 -48.55 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.215 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.6 mt -66.36 -43.49 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -178.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.89 -6.91 58.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.195 -174.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.7 t30 -81.68 -56.7 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.225 173.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -64.36 116.29 26.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.162 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -52.04 -36.49 65.5 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.663 1.575 . . . . 0.0 111.196 -177.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -66.19 -53.37 38.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.79 -37.34 87.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.131 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.2 ttp85 -60.24 -48.06 83.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.184 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.83 -39.69 95.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 93.2 mt -60.81 -43.64 95.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.235 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.54 -51.14 68.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.195 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.57 -36.35 80.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 -175.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -86.46 -39.93 15.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -117.64 -46.39 2.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -166.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.18 -174.12 19.7 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 173.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.77 -44.46 89.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.18 -172.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -60.37 -34.83 74.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.034 -177.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.7 -41.08 72.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.194 174.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.192 178.289 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.8 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.867 0.365 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.55 -64.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -176.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -98.24 149.36 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.2 p -127.72 2.73 6.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.189 -176.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.9 -51.65 68.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.233 -173.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.98 -33.03 74.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -69.78 -36.42 75.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -71.11 -36.14 72.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.67 -39.03 92.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 26' ' ' TYR . 82.0 mt -80.96 -30.26 35.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.79 42.42 9.87 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.1 p -143.64 141.79 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 111.156 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p -72.07 154.54 92.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -175.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.22 -12.02 25.27 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.711 1.608 . . . . 0.0 111.235 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.7 p -74.77 -13.2 60.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.47 143.82 49.9 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.177 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.4 p30 -84.75 -179.65 7.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.22 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -59.19 -35.48 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 -173.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -70.08 -43.18 71.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -72.96 -32.37 65.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.159 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.38 -38.53 91.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 173.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.67 -43.59 97.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.168 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -58.44 -40.93 83.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.88 -43.82 96.42 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 175.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.409 ' HA ' HD22 ' A' ' 11' ' ' LEU . 42.7 t80 -61.91 -45.73 92.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 111.22 177.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -57.97 -42.98 86.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.229 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -67.62 -44.74 77.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.16 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.36 -36.84 85.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.232 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.86 97.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.93 -40.95 83.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.15 -44.2 87.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -107.07 24.72 12.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.219 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -66.0 133.94 94.9 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -177.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -54.03 -33.46 73.32 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.72 1.614 . . . . 0.0 111.248 -174.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -93.16 13.01 22.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.266 -171.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.87 156.06 42.27 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.25 176.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -55.85 -31.96 83.09 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.669 1.579 . . . . 0.0 111.183 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.2 p -99.39 21.5 11.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.37 143.73 48.67 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -151.26 98.32 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 111.183 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.1 m -59.48 -41.98 91.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -172.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.59 -53.55 56.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.183 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -69.48 -31.92 70.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.257 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -58.55 -40.1 82.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.9 -37.51 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.216 174.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.3 -43.05 95.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.164 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.8 pt -73.17 -24.68 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.7 m -69.38 -39.27 78.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 172.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.58 -42.54 95.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.284 170.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.12 83.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 175.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.1 -56.97 15.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -56.05 -50.09 71.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.238 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 86.3 mt -63.29 -45.6 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.177 -175.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 99.1 mt -85.51 -24.0 27.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.219 -170.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -71.01 -46.35 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.241 175.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -66.87 115.61 26.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.248 174.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -52.18 -35.42 62.84 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.699 1.599 . . . . 0.0 111.206 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.06 -58.45 4.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.1 -32.8 74.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.186 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -59.95 -49.33 78.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 176.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.2 -39.09 93.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.174 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.97 -42.56 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.73 -49.99 70.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.01 -37.75 88.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -83.65 -56.85 3.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 -175.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -98.59 -40.33 8.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 -165.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.99 -169.03 19.75 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -67.6 -50.49 58.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 111.235 -170.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -61.65 -35.15 77.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.222 -173.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.93 -41.7 91.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.245 173.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 177.851 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.776 0.322 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -71.45 -63.01 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -96.6 143.28 27.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.209 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -121.57 3.4 10.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.226 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.0 -51.28 69.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -173.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.48 -32.32 72.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.263 -175.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -69.64 -34.65 74.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.252 177.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -71.62 -36.25 70.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.226 177.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.08 -41.28 98.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 177.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.8 mt -80.47 -28.89 37.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.58 43.1 10.57 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.29 141.62 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.35 . . . . 0.0 111.228 -174.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -65.32 144.15 98.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -69.36 -13.44 35.66 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 121.721 1.614 . . . . 0.0 111.228 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.0 p -77.69 -11.12 59.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.3 146.4 48.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.254 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -83.13 -178.45 7.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.228 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.38 -39.85 92.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -171.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -66.74 -41.55 87.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -72.46 -33.5 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.21 -39.76 95.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 173.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.81 -43.24 99.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.204 174.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -57.75 -40.55 79.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.76 -45.32 93.57 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 175.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -62.19 -45.84 91.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 111.242 177.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -57.3 -42.36 81.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.234 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.22 -46.8 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.216 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.29 80.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.41 97.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.82 -40.84 92.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.286 173.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.49 -44.39 84.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.262 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -108.04 25.25 11.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.261 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.5 t-80 -65.42 132.29 95.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.245 -176.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 80.5 Cg_exo -54.4 -33.9 78.83 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.734 1.623 . . . . 0.0 111.224 -174.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -92.66 9.45 34.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.152 -170.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.23 157.59 36.73 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.209 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -55.99 -31.35 81.86 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.654 1.569 . . . . 0.0 111.237 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.4 p -99.2 19.84 14.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 -176.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.9 141.95 48.3 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -153.52 104.09 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.219 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.9 m -60.11 -42.16 94.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.215 -173.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.27 -51.42 70.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.277 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.08 -33.16 71.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -62.84 -40.32 97.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 176.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.92 -42.92 99.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.269 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.61 -46.26 89.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 -177.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.0 pt -74.13 -24.53 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.251 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.5 m -71.04 -38.99 72.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 175.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -63.35 -43.89 96.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 170.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.64 86.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.0 -56.29 23.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -55.79 -49.87 72.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.189 -176.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.82 -40.94 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.274 -177.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.6 mt -88.17 -5.65 58.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.258 -177.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -82.68 -58.95 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 172.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -61.43 117.24 25.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -52.2 -36.6 67.65 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.668 1.579 . . . . 0.0 111.231 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -68.7 -44.44 73.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.46 -35.36 68.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.7 ttp-105 -64.83 -44.22 90.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.195 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -62.32 -44.29 96.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.93 -42.99 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.272 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -62.11 -51.18 68.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.82 -36.13 80.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 -176.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -87.19 -67.82 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.244 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -80.33 -51.29 9.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -168.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.8 -172.3 22.9 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.48 -47.73 62.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 111.252 -172.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -56.24 -41.96 76.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.279 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.74 -42.26 91.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.19 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.248 -178.735 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.814 0.34 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -51.42 46.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.205 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -119.26 145.06 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.235 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.5 p -116.49 8.38 13.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.225 -176.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.8 -49.04 74.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -174.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.86 -30.48 64.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.277 -175.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -71.79 -32.97 68.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.233 177.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.1 -36.4 72.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.73 -42.82 99.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.198 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.9 mt -79.04 -29.61 43.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.227 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.42 43.43 9.4 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -141.95 142.4 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.762 0.315 . . . . 0.0 111.243 -174.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.2 t -62.49 138.68 96.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 -176.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -55.0 -27.14 53.0 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.644 1.562 . . . . 0.0 111.233 175.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.0 p -70.74 -16.28 62.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -176.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.99 144.91 53.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -85.59 174.81 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 177.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -58.27 -32.45 68.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 -171.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -68.82 -44.5 73.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -73.89 -31.18 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.235 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.1 mt -65.67 -37.1 85.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.14 -44.6 94.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.26 172.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.07 -41.02 82.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.236 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.94 -44.96 95.79 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -60.22 -47.37 86.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 111.217 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -56.78 -41.98 78.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.184 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.54 -46.27 80.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.158 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.97 -34.6 78.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.37 96.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.0 mt -70.42 -41.45 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 174.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -58.26 -41.96 85.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.224 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -110.67 30.38 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 42.7 t-80 -56.98 123.82 61.67 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.235 -176.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 89.9 Cg_exo -56.52 -34.49 95.17 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.715 1.61 . . . . 0.0 111.221 -172.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -88.68 2.22 53.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 -169.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -103.08 147.2 33.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.091 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.33 -14.22 25.43 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.693 1.596 . . . . 0.0 111.242 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.2 p -107.6 12.11 27.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.202 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.4 -164.23 35.9 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -160.67 106.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 111.098 -178.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.9 m -63.48 -43.26 97.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.219 -174.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.43 -47.97 83.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -66.8 -36.83 83.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -56.22 -43.01 78.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 175.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.47 -39.46 94.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 176.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.67 -44.79 89.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.5 pt -75.39 -23.01 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.3 m -71.18 -39.48 71.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 174.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.36 -48.1 82.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 169.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.87 -45.44 74.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.188 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' ASN . 54.7 t80 -60.01 -55.24 36.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 178.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -51.82 -47.66 64.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.23 -176.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.4 mt -67.15 -42.77 88.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -87.88 -6.07 58.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -174.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.9 t30 -80.85 -57.33 3.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.253 174.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -65.66 116.11 28.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 174.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -52.09 -35.96 64.02 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.737 1.624 . . . . 0.0 111.238 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -68.05 -46.07 72.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -67.93 -35.48 78.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.185 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.4 ttp85 -61.37 -45.18 95.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.209 176.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -62.57 -37.36 85.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.247 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.79 -45.79 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 175.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -65.78 -54.29 29.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -57.5 -39.0 75.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.238 -176.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -84.26 -54.75 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.197 -175.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -100.44 -43.14 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.216 -167.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.02 -178.15 17.24 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.9 -44.61 95.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.784 0.326 . . . . 0.0 111.22 -174.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -50.59 -45.85 57.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.267 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.03 87.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 177.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.238 179.112 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.876 0.37 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -77.99 -39.84 41.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.259 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -122.51 141.83 51.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.232 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.8 p -121.07 11.25 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.195 -179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -56.28 -48.12 77.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.188 -174.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.47 -32.45 68.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.163 -176.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -68.86 -34.45 75.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.196 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.61 -35.93 73.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.188 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.3 mt -61.41 -41.21 96.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 175.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.7 mt -79.61 -27.94 41.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.211 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.5 42.26 10.46 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.9 p -144.4 138.92 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.741 0.305 . . . . 0.0 111.258 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.2 t -64.22 143.88 98.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.83 -10.4 26.28 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.725 1.617 . . . . 0.0 111.177 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.9 p -77.43 -11.82 59.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.246 173.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.45 151.83 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.268 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -83.23 179.2 7.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.193 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.9 -40.9 98.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 -169.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -67.27 -39.74 86.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.33 -36.08 78.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.61 -39.79 95.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 175.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.05 -43.84 97.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.32 -38.41 80.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.2 -46.15 93.16 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 174.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -60.75 -46.34 90.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 111.206 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.55 -42.08 77.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.75 -46.3 79.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.229 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.9 -35.83 81.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.5 97.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.01 -40.62 91.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 173.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.28 -44.62 84.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -107.59 23.97 13.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.238 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.5 t-80 -65.61 132.7 95.03 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -176.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 79.5 Cg_exo -54.3 -33.95 78.11 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.722 1.615 . . . . 0.0 111.216 -174.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -92.48 9.62 33.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.226 -170.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.05 157.28 37.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.178 176.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -55.85 -31.63 81.81 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.654 1.569 . . . . 0.0 111.248 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.3 p -99.19 20.17 13.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.226 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.98 142.43 48.49 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -153.28 103.66 2.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.767 0.318 . . . . 0.0 111.234 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.5 m -59.78 -42.15 92.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 -173.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.31 -51.96 67.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.227 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.97 -33.89 72.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.188 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -62.44 -40.69 97.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.126 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.98 -43.13 99.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 175.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.62 -46.68 88.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.204 -177.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 pt -73.66 -25.11 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.0 m -70.98 -40.11 72.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.182 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -62.36 -47.32 84.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.26 170.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.78 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' ASN . 67.2 t80 -59.61 -53.48 57.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -52.88 -48.34 67.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.215 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.93 -42.22 88.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -86.54 -7.0 58.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 -174.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.9 t30 -81.51 -57.94 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 173.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -64.19 116.78 30.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 175.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -52.41 -36.18 68.35 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.666 1.578 . . . . 0.0 111.128 -177.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -68.8 -43.4 75.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.04 -36.56 69.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.181 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.8 ttp-105 -63.97 -44.02 94.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.216 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -57.48 -50.34 73.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.212 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.27 -41.08 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -59.75 -55.52 33.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.203 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -71.1 -28.98 64.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 -175.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -80.9 -39.81 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 -176.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -120.15 -48.62 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.188 -170.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 140.2 -178.8 19.6 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.5 tp -62.68 -49.99 72.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 111.233 -175.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -61.59 -32.23 72.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -176.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.33 84.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.241 172.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.224 177.379 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.834 0.349 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -68.63 -59.19 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -109.27 146.63 33.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.282 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.1 p -115.23 5.18 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.162 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.38 -50.73 61.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.22 -173.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.7 mt -72.24 -32.68 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 -175.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -69.24 -33.58 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.19 175.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -74.38 -34.59 63.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.217 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.23 -41.57 98.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 174.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.2 mt -78.78 -29.51 45.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 178.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.68 43.17 9.32 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 p -140.71 142.88 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 111.193 -174.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -61.76 142.78 94.55 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -70.78 -12.91 31.64 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.728 1.619 . . . . 0.0 111.166 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.0 p -78.4 -11.62 59.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.5 147.43 46.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.271 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -87.17 174.92 8.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -58.21 -32.64 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 -171.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.14 -44.55 75.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.175 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -74.41 -31.07 62.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.0 mt -65.57 -36.86 85.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 175.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.13 -44.4 94.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.218 172.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.3 -40.33 81.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.207 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.94 -44.87 95.85 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.58 -46.3 90.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 111.135 177.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -56.52 -42.43 78.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.38 -45.8 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.11 85.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.0 95.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.264 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.23 -41.29 90.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.249 174.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -57.5 -45.74 84.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -104.46 22.65 14.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -65.59 133.38 95.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 -176.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -54.32 -33.62 76.89 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.714 1.61 . . . . 0.0 111.149 -174.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -93.08 12.11 25.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.181 -171.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.41 156.5 41.15 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -55.96 -31.78 83.24 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 121.698 1.599 . . . . 0.0 111.122 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.5 p -99.43 21.4 12.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.152 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.23 142.48 47.71 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -152.07 100.69 2.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 111.163 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.9 m -59.88 -42.24 93.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.237 -173.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.6 -52.19 66.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -69.67 -33.18 72.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -60.46 -40.05 89.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.17 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.17 -39.23 78.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.242 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.79 -43.81 97.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.9 pt -74.47 -24.82 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 61.8 m -70.09 -40.14 75.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.96 -47.89 81.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 170.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.8 -45.64 70.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ASN . 57.5 t80 -59.63 -55.3 36.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 178.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -52.38 -48.0 65.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -176.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.27 -42.76 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.268 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -87.48 -6.37 58.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.237 -174.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.0 t30 -80.76 -56.68 3.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 174.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -66.76 116.09 31.38 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 174.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -52.44 -35.3 65.13 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.715 1.61 . . . . 0.0 111.213 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -70.47 -43.69 69.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.154 -177.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.4 -38.52 81.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.208 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -62.03 -44.94 95.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -54.34 -46.86 73.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.18 -45.58 92.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -62.46 -50.34 71.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.187 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -60.55 -37.38 81.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 -175.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -87.16 -38.84 16.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 -173.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -117.09 -45.17 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -167.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.68 -177.12 16.93 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 174.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.4 tp -64.25 -45.03 89.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.868 0.366 . . . . 0.0 111.211 -174.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.35 -47.5 47.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.257 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.37 89.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 178.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.266 179.608 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.743 0.306 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.54 -61.09 1.9 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.211 -176.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -110.28 148.1 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.201 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.9 p -118.06 4.85 12.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.23 -51.6 57.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.258 -172.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.9 mt -71.48 -33.35 69.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -175.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -68.19 -34.33 76.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.134 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -73.95 -34.57 64.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.37 -40.95 98.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 175.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.1 mt -79.92 -29.15 39.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.208 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.61 43.34 9.28 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.1 p -141.58 142.04 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.908 0.385 . . . . 0.0 111.1 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.5 t -61.98 142.69 95.15 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.32 -11.16 26.5 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.731 1.621 . . . . 0.0 111.254 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.1 p -76.44 -12.19 60.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.209 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.87 147.17 45.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.185 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -85.97 176.01 8.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -58.97 -32.79 69.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 -172.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -68.31 -44.11 76.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.205 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -74.44 -31.19 62.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.203 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.23 -36.96 85.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.22 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.57 -44.82 93.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.255 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.19 -39.39 78.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.266 176.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.57 -44.74 95.35 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 175.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -61.88 -45.11 95.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 111.226 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.33 -42.18 77.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.06 -46.33 74.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.254 177.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.46 80.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.236 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.26 96.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.87 -40.66 91.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.282 173.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.28 -44.88 84.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -107.51 25.1 11.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.202 -177.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -66.12 133.04 94.62 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.24 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -54.09 -33.88 75.66 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.706 1.604 . . . . 0.0 111.231 -174.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -92.76 11.26 27.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.255 -171.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -110.85 156.75 40.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 176.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -55.89 -31.63 82.15 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.633 1.556 . . . . 0.0 111.24 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.3 p -99.42 19.53 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.2 -176.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.28 142.5 48.41 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -154.28 104.63 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.249 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.8 m -60.55 -43.11 97.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -173.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -58.15 -50.74 72.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.228 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.95 -31.66 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -62.78 -40.18 96.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.269 176.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.85 -38.89 90.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.197 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.51 -46.09 91.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.0 pt -74.53 -23.42 18.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.1 m -71.42 -39.16 71.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 176.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -64.81 -42.95 94.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.2 170.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.23 -45.04 84.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.208 175.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' A' ' 56' ' ' ASN . 52.6 t80 -59.99 -59.17 5.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.214 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -53.56 -46.91 70.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -175.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 90.8 mt -67.69 -41.17 85.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -177.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.3 mt -88.58 -7.96 55.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.217 -176.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.1 t30 -80.5 -56.11 4.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.271 175.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.4 120.31 57.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.169 174.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -54.56 -40.25 84.7 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.735 1.623 . . . . 0.0 111.234 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -70.11 -43.4 71.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.255 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.07 -39.33 93.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -62.83 -45.55 92.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 177.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.61 -47.68 81.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.165 175.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.8 mt -58.98 -41.8 84.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -60.85 -50.76 72.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.52 -35.64 78.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 -177.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -85.26 -41.24 15.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.226 -174.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -117.75 -44.92 2.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.222 -166.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 126.81 -172.25 18.4 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 173.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.02 -51.78 68.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 111.257 -172.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.48 -48.54 56.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -172.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.62 -47.99 73.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -177.141 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.807 0.336 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.9 t -109.85 112.18 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -82.68 -81.78 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -78.97 142.47 36.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.3 p -118.57 6.2 11.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.21 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -51.03 -52.72 40.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.117 -173.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.6 mt -69.12 -34.22 74.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.129 -174.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.03 -33.96 74.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.191 176.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -73.48 -34.21 65.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.255 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.01 -42.07 98.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 174.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.59 -29.46 46.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.197 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.6 43.06 9.48 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 p -142.42 142.27 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 111.104 -174.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.7 t -60.65 142.22 91.72 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.82 -10.82 25.32 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.759 1.639 . . . . 0.0 111.175 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.8 p -74.88 -13.47 60.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.247 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.81 145.85 48.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -85.27 176.96 8.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.233 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -58.69 -33.81 70.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 -171.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -68.78 -43.87 74.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -74.12 -31.46 62.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.96 -37.26 87.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.204 174.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.8 -44.39 93.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.184 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.26 -40.49 81.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.244 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.25 -44.71 96.28 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -60.2 -46.74 88.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.784 0.326 . . . . 0.0 111.183 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.3 -41.6 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.53 -47.07 77.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.19 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.46 -34.92 79.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.201 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.48 -40.35 96.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.192 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.8 -40.83 92.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 173.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.33 -44.68 84.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -107.81 25.04 12.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.181 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.7 t-80 -65.5 132.43 95.07 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 -176.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 79.7 Cg_exo -54.46 -33.9 79.45 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.674 1.582 . . . . 0.0 111.266 -174.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -92.44 9.41 34.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.276 -170.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.09 157.52 36.82 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -55.87 -31.67 82.11 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.765 1.643 . . . . 0.0 111.212 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.3 p -99.18 20.01 14.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.231 -176.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.14 142.35 48.42 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -153.37 104.02 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.786 0.327 . . . . 0.0 111.18 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.8 m -60.14 -42.0 93.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.212 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.3 -51.53 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.08 -33.71 72.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.54 -40.41 96.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.93 -43.25 99.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.227 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.58 -46.69 88.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.213 -178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.4 pt -74.03 -25.05 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.19 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.3 m -71.05 -38.56 72.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 175.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.59 -45.63 89.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.05 -43.41 86.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.419 ' O ' ' N ' ' A' ' 56' ' ' ASN . 44.6 t80 -59.97 -58.33 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -57.91 -44.36 86.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.18 -42.22 93.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.252 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.9 mt -87.11 -10.48 52.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.182 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 52' ' ' PHE . 50.8 t30 -73.81 -49.79 23.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.252 174.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -67.25 115.35 25.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 172.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -52.94 -35.71 72.23 Favored 'Trans proline' 0 C--N 1.328 -0.531 0 C-N-CA 121.683 1.588 . . . . 0.0 111.241 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -69.13 -44.73 71.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -177.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -70.88 -35.24 72.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.271 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -62.66 -46.34 88.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.261 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -58.12 -48.24 80.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.8 mt -59.39 -41.64 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -59.64 -50.75 72.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.03 -39.25 89.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.275 -177.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -84.55 -37.04 21.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.244 -171.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -119.74 -46.24 2.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.174 -168.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.38 -173.19 18.63 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.78 -46.73 88.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 111.183 -172.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -50.1 -52.35 35.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.191 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.9 -39.33 90.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.247 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.26 -38.21 88.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -70.16 -39.02 75.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.4 p -74.94 -24.04 58.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.14 24.86 42.49 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 161.69 149.55 5.67 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.92 -20.03 22.71 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.699 1.599 . . . . 0.0 111.18 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.2 p -88.1 160.64 17.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.209 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -133.38 151.11 51.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.11 -174.42 42.37 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo . . . . . 0 C--O 1.199 -1.451 0 C-N-CA 121.722 1.614 . . . . 0.0 111.173 179.404 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 120.816 0.341 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t -110.88 101.59 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.2 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -70.38 -59.75 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.23 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -111.32 146.21 37.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.2 p -120.45 9.24 10.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 -177.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -55.19 -51.17 67.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.43 -33.64 74.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -66.57 -36.77 83.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.222 176.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.37 -34.22 72.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.214 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.02 -38.31 88.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.19 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -84.37 -23.97 29.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.72 43.67 8.94 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -145.98 143.52 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 111.185 -176.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.415 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 31.0 t -59.7 138.91 89.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 -177.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 67.3 Cg_exo -55.32 -28.68 63.98 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.775 1.65 . . . . 0.0 111.133 176.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.1 p -77.55 -10.6 59.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 -174.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.04 158.95 32.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -84.53 -176.68 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.251 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.463 ' HA ' HD12 ' A' ' 22' ' ' LEU . 59.6 mp0 -72.34 -23.53 61.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.211 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -64.16 -40.54 96.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -74.2 -31.65 62.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' A' ' 19' ' ' GLU . 80.3 mt -61.37 -39.92 92.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 172.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.93 -43.48 95.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.198 174.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.6 -45.34 94.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.25 177.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.8 -44.53 96.94 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -63.21 -46.03 88.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 111.199 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -58.67 -43.74 90.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.03 -46.62 77.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.223 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.24 -35.73 80.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.216 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.38 96.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.36 -41.22 89.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.211 174.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.98 -43.85 86.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -106.58 23.1 14.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -64.62 132.07 95.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.237 -176.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -54.48 -34.0 80.05 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.649 1.566 . . . . 0.0 111.186 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -92.32 9.07 35.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 -170.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -108.86 157.48 36.72 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.189 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -55.82 -31.37 80.54 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.644 1.563 . . . . 0.0 111.175 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.4 p -99.23 19.69 14.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -176.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.07 141.2 47.79 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -153.36 103.3 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 0.0 111.194 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.0 m -60.42 -41.97 95.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.211 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.87 -51.71 68.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.04 -33.23 71.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.53 -40.04 95.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.215 175.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.43 -42.84 98.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -59.27 -46.45 88.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 -177.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.2 pt -73.21 -25.11 21.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.207 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.9 m -71.56 -38.84 70.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.243 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.63 -44.16 94.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.267 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.06 84.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -60.19 -54.81 41.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -56.56 -49.47 74.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.38 -41.87 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.1 mt -85.43 -15.88 41.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 -174.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -74.17 -52.34 12.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -67.69 116.42 37.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -52.53 -36.55 71.12 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 121.719 1.612 . . . . 0.0 111.235 -178.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -69.32 -43.84 72.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.256 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.12 -35.77 71.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.226 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -63.34 -43.97 96.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -58.53 -50.56 73.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.8 mt -58.51 -41.32 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -60.06 -54.9 40.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -72.09 -25.92 61.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -175.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -82.57 -41.3 19.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -119.23 -45.74 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.245 -170.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.29 179.41 16.42 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.31 -43.62 96.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.771 0.319 . . . . 0.0 111.139 -176.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -48.35 -51.26 27.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.247 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.2 -41.25 90.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.229 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.32 78.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -69.49 -37.1 77.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.224 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.1 p -69.91 -28.56 65.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.214 175.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.03 7.3 70.55 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -139.02 154.79 23.5 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -56.42 143.97 85.09 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.644 1.563 . . . . 0.0 111.257 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.3 t -75.53 135.8 40.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 176.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -126.41 70.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.94 -178.81 46.91 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo . . . . . 0 C--O 1.201 -1.351 0 C-N-CA 121.774 1.649 . . . . 0.0 111.226 -178.062 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.782 0.325 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.1 t -110.53 105.17 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.233 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -72.61 -61.03 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -109.69 148.19 31.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.21 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.1 p -121.09 10.6 10.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.68 -51.89 67.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.218 -175.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.48 -33.23 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.185 -175.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -68.17 -35.73 78.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -70.45 -35.99 73.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.54 -41.05 96.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.203 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.7 mt -80.06 -28.76 39.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.35 42.72 9.08 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p -141.28 142.76 28.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.351 . . . . 0.0 111.115 -174.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 29.9 t -60.32 138.58 91.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 -178.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 54.1 Cg_exo -56.25 -25.95 58.71 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.731 1.621 . . . . 0.0 111.22 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.3 p -77.19 -10.05 59.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.05 144.73 55.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.8 p30 -83.51 -179.78 7.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.282 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.42 -47.06 76.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.146 -172.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -65.34 -40.85 94.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -71.13 -33.36 70.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.59 -38.67 91.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.26 174.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.61 -43.26 99.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.45 -40.94 79.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.24 -45.55 93.98 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -61.8 -45.41 93.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.213 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.62 -42.62 79.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.65 -46.58 75.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.191 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.21 -35.65 81.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.45 97.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.187 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.9 -40.84 91.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.228 173.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.45 -44.69 84.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -107.91 25.18 11.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.6 t-80 -65.24 132.35 95.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 -176.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 81.1 Cg_exo -54.51 -33.95 80.2 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.716 1.611 . . . . 0.0 111.189 -174.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -92.56 9.57 34.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 -170.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.51 157.59 36.97 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.186 176.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -56.04 -31.41 82.48 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.551 1.501 . . . . 0.0 111.25 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.8 p -99.14 19.91 14.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.11 142.24 48.4 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -153.46 103.94 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 0.0 111.19 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.7 m -60.12 -42.21 94.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -173.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.25 -51.49 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.239 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.01 -33.21 71.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -63.01 -40.21 97.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.74 -43.2 99.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 175.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.34 -46.36 88.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 pt -74.27 -24.63 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.2 m -71.16 -39.21 72.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 175.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -64.13 -44.15 93.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.216 170.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.28 -46.07 83.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 56' ' ' ASN . 61.5 t80 -60.04 -56.74 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -54.31 -47.37 72.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.217 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.1 mt -66.73 -41.09 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.4 mt -87.29 -7.22 58.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -176.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' PHE . 40.1 t30 -81.19 -58.3 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 175.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -63.08 117.19 30.7 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 175.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -52.27 -35.92 65.75 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.711 1.607 . . . . 0.0 111.136 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -68.76 -43.93 74.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.274 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.38 -37.61 71.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.244 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 61' ' ' ARG . 40.0 ttp-105 -64.0 -44.45 92.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.179 177.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.02 -48.47 78.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.7 -43.13 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.275 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -60.16 -50.42 73.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.238 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.87 -36.74 84.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -85.21 -40.23 16.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.214 -173.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -117.01 -45.31 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 -167.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.02 -177.78 17.19 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.88 -48.76 75.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 111.182 -174.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.56 -47.61 57.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.26 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.66 96.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.261 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.64 82.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.248 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -68.31 -40.23 81.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.252 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 91.7 p -80.52 -24.73 39.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.7 -17.09 20.89 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.98 -115.9 7.99 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -52.91 -29.93 45.79 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.751 1.634 . . . . 0.0 111.166 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.506 ' OG ' ' N ' ' A' ' 79' ' ' PHE . 94.5 p -78.59 -95.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.506 ' N ' ' OG ' ' A' ' 78' ' ' SER . 95.9 m-85 -102.55 21.7 14.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 -173.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -99.29 -154.2 28.26 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo . . . . . 0 C--O 1.199 -1.426 0 C-N-CA 121.671 1.58 . . . . 0.0 111.245 179.805 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' A' ' 2' ' ' VAL . 98.9 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.799 0.333 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.456 ' N ' ' OG ' ' A' ' 1' ' ' SER . 35.1 m -127.53 162.46 32.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 -178.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -69.22 -59.7 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 178.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -108.38 145.7 34.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.238 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.8 p -117.41 8.2 12.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.39 -49.34 72.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -174.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.8 mt -72.48 -31.14 65.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 -175.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -70.69 -33.23 70.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 176.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -71.24 -36.4 71.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 177.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.52 -42.74 99.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.283 176.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -77.98 -29.51 49.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.21 42.54 10.52 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.9 p -141.11 141.7 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.714 0.292 . . . . 0.0 111.259 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.6 t -63.75 143.66 98.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.26 -13.65 36.31 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 121.662 1.575 . . . . 0.0 111.282 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.2 p -79.49 -9.98 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.261 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.85 147.75 49.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.207 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -83.45 -178.14 6.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.0 -44.69 94.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.289 -170.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -68.46 -39.72 81.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -67.37 -36.72 81.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.72 -40.03 95.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.253 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.08 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.189 175.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.32 -39.51 83.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.221 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.36 -45.83 93.78 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -60.42 -46.9 88.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.681 0.277 . . . . 0.0 111.136 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -57.46 -41.95 81.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -177.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.16 -46.39 81.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.23 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.95 -36.09 82.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.201 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.03 96.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.264 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.82 -41.33 91.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 174.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -57.26 -45.37 84.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -104.65 21.67 16.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.23 -176.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.7 t-80 -65.35 132.77 95.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 -175.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 78.7 Cg_exo -54.53 -33.83 79.85 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.662 1.575 . . . . 0.0 111.227 -174.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -92.03 9.56 32.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.253 -170.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.17 157.11 38.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.218 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -55.96 -31.5 82.14 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.806 1.671 . . . . 0.0 111.215 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.8 p -99.4 20.62 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.263 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.71 141.26 47.62 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -153.04 102.67 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 111.174 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.4 m -60.3 -41.84 94.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.177 -173.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.91 -52.16 66.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.198 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.0 -33.83 72.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.28 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -62.16 -40.42 95.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.43 -42.85 98.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 176.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.07 -45.58 92.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.251 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.4 pt -73.85 -25.49 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.5 m -71.42 -39.19 71.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 175.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.82 -48.99 79.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.169 170.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.43 -45.73 80.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.266 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ASN . 65.9 t80 -59.89 -54.18 49.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.21 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -51.62 -48.06 63.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.249 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.7 mt -67.19 -43.03 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.4 mt -86.52 -7.2 58.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 -174.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.7 t30 -81.71 -57.49 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 174.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -63.9 116.58 28.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -52.11 -36.73 67.23 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 121.676 1.584 . . . . 0.0 111.185 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -68.56 -47.02 67.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.27 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.89 -37.9 82.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.5 ttp85 -60.68 -48.12 83.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.157 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.26 -40.32 93.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.0 mt -61.15 -44.57 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -62.51 -50.06 72.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.214 175.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -61.53 -35.86 78.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -175.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -87.68 -41.21 13.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.189 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -115.2 -47.29 2.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.226 -166.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.9 -175.53 19.07 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.7 tp -64.92 -48.79 72.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 111.121 -172.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.8 -47.08 51.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.245 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.56 92.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.251 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.57 86.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.21 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.5 -35.25 75.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.0 p -79.81 -24.94 41.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.7 31.82 48.27 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -145.51 -154.36 6.13 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -176.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -81.29 179.72 5.65 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.745 1.63 . . . . 0.0 111.204 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.4 p -73.22 168.2 19.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -127.89 151.16 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 -176.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.52 -162.44 33.95 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo . . . . . 0 C--O 1.201 -1.372 0 C-N-CA 121.703 1.602 . . . . 0.0 111.132 179.389 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.471 ' OG ' ' N ' ' A' ' 2' ' ' VAL . 98.1 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.849 0.356 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.471 ' N ' ' OG ' ' A' ' 1' ' ' SER . 32.1 m -126.99 161.41 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -178.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.64 -49.34 66.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -121.49 145.28 48.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.2 p -113.91 2.99 15.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -51.64 -50.55 60.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -173.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.8 mt -73.9 -31.97 63.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.289 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -68.5 -33.94 75.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.214 174.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -73.6 -34.64 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.95 -41.76 98.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.222 175.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.415 ' HB2' HG12 ' A' ' 13' ' ' VAL . 80.0 mt -79.38 -29.35 42.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.51 42.85 9.79 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.415 HG12 ' HB2' ' A' ' 11' ' ' LEU . 9.3 p -140.15 142.18 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 111.197 -174.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.6 t -62.43 138.28 96.38 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 -176.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -54.85 -27.65 54.2 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.764 1.643 . . . . 0.0 111.23 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.0 p -70.58 -16.51 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.32 143.85 55.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -84.59 175.97 8.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.212 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 -58.2 -33.34 69.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.194 -171.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.88 -44.37 73.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -74.27 -30.93 62.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.224 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.71 -37.11 85.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 175.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.53 -43.99 96.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.239 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.63 -40.52 83.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.49 -44.55 96.63 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 175.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -60.28 -47.29 86.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.271 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -56.34 -42.28 77.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.195 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.38 -52.03 66.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.21 -35.44 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.1 99.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.206 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.93 -40.24 87.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 174.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.55 -44.51 85.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -107.03 23.39 14.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.199 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -65.77 133.16 94.97 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.231 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -54.12 -33.65 74.96 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.695 1.596 . . . . 0.0 111.181 -174.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -92.89 11.91 25.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -171.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -111.02 156.75 40.37 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.18 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -55.72 -31.97 82.21 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.724 1.616 . . . . 0.0 111.223 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.6 p -99.61 21.66 11.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.07 143.14 48.64 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -152.15 101.6 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.21 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.6 m -59.18 -41.91 89.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.215 -174.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.65 -51.84 68.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -70.47 -34.7 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -60.67 -40.44 92.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.83 -44.22 90.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.223 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.33 -45.09 94.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.7 pt -74.09 -25.2 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.252 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.7 m -71.78 -39.63 69.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.26 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.4 -45.07 89.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.237 171.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.18 81.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' ASN . 59.3 t80 -59.41 -53.52 57.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 178.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -49.45 -49.24 46.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.22 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 90.0 mt -66.74 -43.11 90.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.7 mt -87.43 -5.36 58.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.5 t30 -81.0 -57.29 3.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 174.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -65.44 116.49 31.67 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -51.63 -36.58 61.25 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.664 1.576 . . . . 0.0 111.208 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -68.4 -45.43 72.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 -178.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.2 -37.43 80.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -60.39 -47.18 87.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.255 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.64 -40.6 95.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.261 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.1 -42.44 95.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 176.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -61.61 -49.45 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 175.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -63.21 -33.89 76.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 -175.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -90.71 -42.47 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -112.85 -46.11 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.254 -167.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.99 -177.61 18.32 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 173.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.478 ' C ' HD23 ' A' ' 69' ' ' LEU . 9.8 tt -58.43 -49.94 75.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 111.26 -174.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -55.04 -40.55 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.74 -45.36 78.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.256 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.79 -39.59 84.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.182 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.1 ttt-85 -70.51 -43.7 69.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.229 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.5 m -80.65 -30.54 36.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.88 41.4 7.65 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -154.34 132.64 3.59 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.58 -9.25 21.26 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.676 1.584 . . . . 0.0 111.256 -177.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 93.8 p -76.44 -8.41 57.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.257 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -101.88 167.73 9.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.186 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.42 170.75 26.91 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo . . . . . 0 C--O 1.199 -1.439 0 C-N-CA 121.727 1.618 . . . . 0.0 111.2 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.3 p . . . . . 0 CA--C 1.523 -0.092 0 CA-C-O 120.851 0.358 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 66.6 t -105.74 113.55 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -92.67 -60.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -96.03 142.5 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.219 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.8 p -123.89 10.58 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.226 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -54.6 -51.77 64.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.75 -34.22 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.262 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -69.84 -36.5 75.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.16 -36.41 74.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.07 -39.01 93.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.123 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.4 mt -77.19 -30.6 54.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 176.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.12 42.16 9.7 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -143.3 140.75 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 111.182 -175.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -64.45 142.63 98.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.97 -9.91 24.1 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.733 1.622 . . . . 0.0 111.128 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.7 p -71.56 -16.62 62.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.275 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.1 148.09 42.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.7 p30 -84.82 174.64 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.3 mp0 -60.22 -31.83 70.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 -170.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -68.82 -42.69 76.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -74.29 -30.52 62.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.43 -35.59 80.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 175.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.91 -45.39 90.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 171.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.1 -39.94 83.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 176.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.31 -44.06 96.82 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -60.06 -46.41 89.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.763 0.316 . . . . 0.0 111.151 177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -56.47 -42.22 77.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.56 -43.84 79.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.18 86.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.74 96.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.258 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.02 -40.88 82.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 173.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.88 -44.53 86.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.24 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -106.13 22.81 15.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 59.2 t-80 -65.69 133.69 95.16 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.179 -177.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 76.9 Cg_exo -54.02 -33.36 72.81 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.684 1.59 . . . . 0.0 111.172 -174.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -93.04 13.23 21.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 -171.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -112.01 156.12 42.31 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.196 176.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -55.89 -32.06 83.77 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.68 1.587 . . . . 0.0 111.176 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.5 p -99.37 21.64 11.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.53 143.87 48.72 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -151.18 97.42 2.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.761 0.315 . . . . 0.0 111.223 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.8 m -58.69 -41.35 86.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.244 -173.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.7 -55.37 35.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.11 -32.18 71.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -57.48 -40.33 78.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.233 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.85 -37.07 73.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 174.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.21 -41.94 93.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.1 pt -72.89 -25.19 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.4 m -69.68 -39.66 76.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.285 173.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.11 -47.7 83.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 169.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.69 -43.35 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 176.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -58.46 -55.95 28.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.106 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -52.77 -50.54 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.234 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.39 -44.76 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.245 -176.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.2 mt -89.01 -11.36 44.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.234 -171.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -77.13 -50.42 13.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.181 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -67.93 115.84 32.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.26 172.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -52.39 -36.59 69.74 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.744 1.629 . . . . 0.0 111.171 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -70.13 -47.7 60.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.63 -35.46 78.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -59.5 -46.61 88.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -64.72 -40.6 95.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.0 mt -59.11 -43.89 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.225 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -60.01 -50.56 73.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -70.81 -33.15 70.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.229 -173.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -84.59 -36.78 21.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 -175.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -118.97 -46.23 2.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.285 -170.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.18 177.94 15.15 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.8 -44.96 96.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.89 0.376 . . . . 0.0 111.187 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -48.83 -48.83 41.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.24 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.74 92.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.29 -37.19 77.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -73.19 -34.79 66.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.264 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 72.8 p -77.0 -20.35 56.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.247 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.64 -5.01 31.01 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.51 146.73 19.65 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -73.68 145.06 36.38 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.802 1.668 . . . . 0.0 111.206 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.9 t 59.36 -158.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.216 -177.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -85.22 77.82 9.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 -175.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.9 -154.21 26.48 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--O 1.199 -1.444 0 C-N-CA 121.718 1.612 . . . . 0.0 111.227 -178.25 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 CA--C 1.523 -0.087 0 CA-C-O 120.824 0.345 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.1 t -112.05 104.34 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.198 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.66 -60.75 2.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.253 -176.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -109.57 148.37 31.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.179 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.5 p -117.17 4.49 12.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.76 -52.1 57.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 -172.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.73 -33.91 74.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.195 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -68.59 -33.97 74.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.212 176.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -74.29 -33.79 63.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.74 -41.54 99.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.215 174.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.0 mt -77.67 -30.15 51.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.0 42.19 9.77 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -143.39 140.0 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.865 0.365 . . . . 0.0 111.237 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.7 t -63.61 143.33 97.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.95 -10.67 26.53 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.674 1.582 . . . . 0.0 111.169 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.9 p -76.84 -11.82 59.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 173.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.8 148.15 46.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -82.58 -178.62 7.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.61 -41.98 95.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -171.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.84 -40.27 83.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -71.43 -33.71 69.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.229 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.95 -39.63 94.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.56 -43.22 99.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 174.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -57.71 -41.28 81.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.79 -45.6 93.3 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -61.27 -47.43 86.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.757 0.313 . . . . 0.0 111.109 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -57.11 -42.0 80.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.88 -47.45 77.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.72 -33.97 75.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.139 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.96 97.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.185 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -72.52 -39.51 67.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.286 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.09 -42.31 85.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -110.07 21.09 17.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 -176.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -51.4 133.93 33.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.249 -173.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -54.7 -34.97 86.01 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 121.737 1.625 . . . . 0.0 111.214 -176.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -92.47 4.49 53.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.225 -173.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -82.75 130.54 57.8 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -52.34 -37.69 71.82 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.71 1.607 . . . . 0.0 111.194 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.0 p -115.18 36.53 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.17 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.39 -164.72 40.43 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -156.46 100.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 111.206 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.3 m -61.87 -42.25 98.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.16 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.97 -48.6 80.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.195 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -66.49 -36.43 82.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.197 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -57.01 -41.94 79.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.81 -39.45 93.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -63.82 -44.64 92.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.4 pt -75.01 -23.56 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.8 m -70.65 -38.86 73.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -63.16 -44.29 95.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.254 170.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.53 82.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.243 176.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.28 -56.12 25.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -54.45 -47.74 72.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.179 -176.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.0 mt -66.6 -41.97 89.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.226 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.6 mt -87.18 -8.95 56.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 -175.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -81.47 -57.93 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 174.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.0 121.25 60.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 175.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -54.02 -42.84 63.52 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.725 1.617 . . . . 0.0 111.167 -175.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -66.46 -50.31 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.205 -177.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.22 -39.9 92.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -60.44 -47.89 84.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -62.43 -39.5 93.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.25 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.91 -43.96 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.193 177.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.02 -50.62 71.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 175.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.02 -36.58 82.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -175.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -86.74 -39.91 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 -173.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -117.23 -45.75 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -167.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.12 -177.19 17.79 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.7 tp -63.66 -46.93 83.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.332 . . . . 0.0 111.182 -174.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.58 -47.45 49.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.242 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.17 -44.51 91.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.222 177.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.66 76.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -70.15 -38.51 75.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.177 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.7 p -75.3 -21.42 58.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.208 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.7 -4.11 32.42 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.57 -179.15 52.53 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -75.16 -17.92 18.82 Favored 'Trans proline' 0 C--N 1.327 -0.558 0 C-N-CA 121.667 1.578 . . . . 0.0 111.211 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.4 p -84.77 171.53 12.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -112.97 150.93 31.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.236 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.12 -162.33 34.42 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo . . . . . 0 C--O 1.2 -1.412 0 C-N-CA 121.65 1.567 . . . . 0.0 111.243 179.395 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.815 0.34 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.9 t -111.52 103.88 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.254 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -71.75 -59.22 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.249 -176.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -111.88 145.57 39.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.1 p -120.77 11.15 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -55.86 -53.07 61.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.52 -33.35 74.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 -175.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -68.75 -37.43 79.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.303 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.82 -36.94 73.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.9 -39.37 94.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 26' ' ' TYR . 86.9 mt -78.15 -31.01 49.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.183 177.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.14 42.78 8.5 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.6 p -141.39 142.62 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.354 . . . . 0.0 111.212 -175.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.1 t -60.99 137.99 94.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.231 -177.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -55.76 -26.73 58.21 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.653 1.569 . . . . 0.0 111.194 175.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.0 p -73.86 -13.37 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.97 144.85 55.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -84.09 175.68 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.191 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -59.38 -31.78 69.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 -171.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -69.43 -44.46 71.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.149 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -74.2 -30.9 62.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.45 HD13 ' HB3' ' A' ' 55' ' ' LEU . 94.3 mt -66.94 -35.94 81.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 175.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -59.29 -45.09 92.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 171.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.54 -39.25 79.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.51 -44.14 95.58 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.418 ' HA ' HD22 ' A' ' 11' ' ' LEU . 49.0 t80 -61.4 -45.33 94.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.795 0.331 . . . . 0.0 111.204 177.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -56.92 -42.98 80.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.69 -44.55 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.53 87.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.23 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.21 -40.95 95.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.77 -41.36 83.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.277 174.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -58.1 -45.52 87.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.167 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -104.38 22.2 15.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.201 -176.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 59.2 t-80 -65.53 133.64 95.31 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.221 -176.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 77.0 Cg_exo -54.18 -33.41 74.61 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.771 1.647 . . . . 0.0 111.105 -174.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -93.01 12.32 24.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.186 -171.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.14 156.1 41.53 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.209 176.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -55.59 -32.11 81.82 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.695 1.597 . . . . 0.0 111.21 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.8 p -99.3 21.92 11.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.02 143.37 48.63 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -150.93 97.1 2.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 111.23 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.5 m -58.99 -41.49 87.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.18 -173.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.23 -55.02 40.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.226 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.25 -32.03 70.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -58.48 -36.6 74.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.209 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -75.19 -36.38 61.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 174.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.56 -42.76 95.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 pt -72.04 -22.03 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.1 m -72.99 -37.68 66.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -65.59 -41.62 92.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 168.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.94 -45.59 78.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.256 175.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 56' ' ' ASN . 59.8 t80 -60.06 -58.08 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 178.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -53.84 -47.44 70.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.4 mt -66.16 -43.0 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.158 -178.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' HB3' HD13 ' A' ' 22' ' ' LEU . 96.7 mt -89.65 -8.89 51.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -173.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.7 t30 -78.23 -53.92 6.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.188 174.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -66.82 115.81 28.72 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 173.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -52.24 -35.8 65.0 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.698 1.599 . . . . 0.0 111.112 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -68.32 -46.84 69.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.123 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -68.31 -36.21 78.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.221 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -59.99 -46.26 90.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -63.37 -41.65 98.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.58 -41.84 89.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.28 -50.96 70.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.22 174.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.58 -34.64 78.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.254 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -87.64 -41.27 13.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.297 -174.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -118.21 -46.23 2.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 -165.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.69 -175.56 20.45 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 171.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.51 ' C ' HD23 ' A' ' 69' ' ' LEU . 8.0 tt -65.36 -54.49 28.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.8 0.333 . . . . 0.0 111.179 -171.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -59.78 -33.3 71.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.24 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.53 -40.46 97.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.229 173.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.69 78.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -65.14 -42.76 93.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.232 175.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.7 t -81.73 -72.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.07 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.62 -169.74 52.63 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.45 -111.38 3.3 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -56.73 143.98 88.29 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.701 1.601 . . . . 0.0 111.212 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.2 t -65.32 142.95 58.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.219 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -108.5 156.14 19.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -173.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.04 -161.67 36.28 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo . . . . . 0 C--O 1.2 -1.407 0 C-N-CA 121.691 1.594 . . . . 0.0 111.221 179.778 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.472 ' OG ' ' N ' ' A' ' 2' ' ' VAL . 93.6 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.704 0.287 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.472 ' N ' ' OG ' ' A' ' 1' ' ' SER . 61.9 t -112.1 99.89 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.226 -178.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -68.34 -62.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -109.04 145.5 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.194 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.4 p -118.97 7.11 11.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.231 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.58 -52.89 63.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.258 -174.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.47 -34.0 77.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.252 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -69.66 -36.0 75.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.179 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -71.77 -35.56 70.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.37 -38.82 92.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 26' ' ' TYR . 79.6 mt -83.67 -28.5 28.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 177.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.51 43.86 8.25 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p -142.26 140.98 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 111.214 -175.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.2 t -63.95 143.35 98.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.62 -12.23 28.9 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 121.616 1.544 . . . . 0.0 111.158 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.8 p -73.43 -15.21 61.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 174.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.402 ' HB1' ' HB2' ' A' ' 21' ' ' GLU . . . -73.63 148.36 42.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.168 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.1 p30 -83.42 174.56 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.244 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.3 mp0 -60.16 -31.2 69.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.88 -44.27 73.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.218 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 80.0 mm-40 -73.65 -32.14 63.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 178.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 55' ' ' LEU . 94.0 mt -65.79 -36.16 82.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 175.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.33 -44.87 95.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 172.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -57.67 -38.28 74.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.66 -44.82 93.86 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.407 ' HA ' HD22 ' A' ' 11' ' ' LEU . 64.2 t80 -62.71 -47.09 85.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.769 0.318 . . . . 0.0 111.252 177.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -52.44 -43.25 64.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.61 -54.39 32.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.153 175.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.94 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.0 98.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.265 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.68 -40.74 76.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.26 -43.88 88.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.255 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -107.72 16.83 23.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -51.98 137.01 36.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 -176.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -51.92 -35.23 59.36 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.621 1.547 . . . . 0.0 111.244 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -89.26 -8.07 54.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.28 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -68.25 124.43 89.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.23 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -52.85 -36.77 75.56 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.727 1.618 . . . . 0.0 111.152 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.0 p -113.11 35.32 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.233 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.29 -162.98 37.59 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -161.29 108.85 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 0.0 111.3 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.4 m -63.27 -44.21 95.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.218 -173.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.59 -47.49 85.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -66.65 -36.29 82.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.255 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -58.3 -41.34 84.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.11 -39.35 93.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.99 -44.49 92.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.239 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.5 pt -76.7 -19.65 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 57.7 m -72.85 -37.41 67.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 174.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -63.63 -41.85 98.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.266 168.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.22 -44.13 83.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 174.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -60.04 -59.99 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -54.69 -44.81 73.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 -176.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.3 -46.43 87.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.443 ' HB3' HD13 ' A' ' 22' ' ' LEU . 97.4 mt -88.8 -5.72 57.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.268 -172.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -80.59 -55.4 4.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.2 172.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -68.71 115.72 33.54 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.264 173.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -52.28 -35.67 64.95 Favored 'Trans proline' 0 C--N 1.328 -0.544 0 C-N-CA 121.661 1.574 . . . . 0.0 111.153 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -68.37 -45.67 72.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.224 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -70.0 -33.73 72.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.197 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.6 ttp85 -59.39 -45.98 89.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.17 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.77 -42.08 97.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.224 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.4 mt -60.29 -39.89 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.283 177.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -62.6 -50.25 72.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.54 -26.61 67.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 -175.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -96.13 -43.28 7.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 -174.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -111.12 -51.49 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.199 -168.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 139.24 -176.38 21.04 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 173.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.484 ' C ' HD23 ' A' ' 69' ' ' LEU . 8.3 tt -62.35 -53.96 47.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.803 0.335 . . . . 0.0 111.214 -170.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -54.36 -45.64 72.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -175.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.2 -37.91 87.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.32 -50.9 63.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.245 -177.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -77.77 -13.63 59.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.218 -175.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 86.2 p -78.54 -9.69 59.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 172.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.22 26.72 39.18 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -175.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.82 151.17 10.09 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -175.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.99 150.04 47.98 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.718 1.612 . . . . 0.0 111.232 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.9 t 52.11 -117.53 1.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -113.98 28.7 8.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.173 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 132.8 143.65 5.09 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo . . . . . 0 C--O 1.2 -1.395 0 C-N-CA 121.691 1.594 . . . . 0.0 111.177 -179.519 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.449 ' OG ' ' N ' ' A' ' 2' ' ' VAL . 99.1 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.754 0.312 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.449 ' N ' ' OG ' ' A' ' 1' ' ' SER . 35.3 m -127.44 162.3 33.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -69.26 -59.83 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -108.38 146.41 33.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.9 p -117.65 8.36 12.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.284 -177.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -55.84 -49.56 72.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.179 -174.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.5 mt -71.54 -31.63 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.227 -175.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.402 ' CE2' ' HA ' ' A' ' 15' ' ' PRO . 78.0 m-85 -70.51 -33.42 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.243 176.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -71.93 -36.38 69.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 176.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.8 -41.59 97.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.193 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.3 mt -79.82 -29.45 40.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.229 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.89 42.49 11.04 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.0 p -139.69 142.03 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.873 0.368 . . . . 0.0 111.246 -174.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.0 t -64.03 144.13 98.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.223 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.402 ' HA ' ' CE2' ' A' ' 8' ' ' TYR . 61.6 Cg_endo -69.13 -13.26 35.93 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.701 1.601 . . . . 0.0 111.195 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.7 p -78.4 -10.93 59.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.37 145.34 51.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -84.46 -178.59 6.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -55.17 -48.44 73.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.152 -173.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.08 -40.32 94.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.199 -175.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -70.94 -33.53 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.95 -39.45 94.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.171 173.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.09 -42.5 99.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.246 175.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.62 -40.35 78.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.262 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.1 -45.54 93.8 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 175.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -61.8 -45.01 95.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 111.24 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -58.09 -42.93 86.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.17 -44.9 82.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.09 77.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.203 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.82 82.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.73 -35.99 79.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 173.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.36 -41.71 93.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -124.19 59.89 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.443 ' HB3' ' HB2' ' A' ' 37' ' ' LYS . 55.2 t-80 -72.73 137.9 80.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 -178.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -52.28 -34.87 61.79 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.67 1.58 . . . . 0.0 111.249 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -96.11 9.01 42.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -175.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' HB2' ' HB3' ' A' ' 34' ' ' HIS . 85.1 tttt -83.26 124.65 75.86 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.57 -16.87 23.92 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.635 1.557 . . . . 0.0 111.187 -174.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.2 p -116.88 18.31 14.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.9 154.89 17.77 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -104.79 114.49 28.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 0.0 111.199 -178.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.4 m -57.45 -35.8 70.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.95 -33.26 75.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -72.17 -34.8 68.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.215 174.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -60.44 -40.93 92.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.245 171.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.82 -42.98 94.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.192 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.84 -47.7 83.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.8 pt -74.04 -23.77 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.259 -177.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.2 m -71.27 -39.33 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.24 175.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -63.73 -43.93 95.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.287 170.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.93 -45.63 86.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.62 -56.73 17.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -54.8 -49.51 70.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.225 -176.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.31 -42.01 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.254 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -86.93 -9.27 56.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.275 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -80.81 -55.57 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.23 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -63.61 116.48 26.51 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -51.98 -35.09 59.44 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.685 1.59 . . . . 0.0 111.208 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -67.84 -58.18 5.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.17 -35.96 78.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.234 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -60.01 -49.94 75.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.285 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -62.43 -39.27 92.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.2 -44.08 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.271 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -63.01 -50.7 69.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -61.23 -36.21 79.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 -175.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -87.43 -41.04 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -116.85 -45.43 2.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 -165.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.54 -175.46 18.98 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 173.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.4 tp -64.47 -46.27 83.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.766 0.317 . . . . 0.0 111.177 -172.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.55 -47.77 57.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.38 90.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.34 -37.33 86.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.107 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -69.74 -38.32 76.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.4 p -78.01 -23.65 48.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.22 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.15 33.43 40.45 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.27 -148.62 18.1 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -174.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -63.05 153.88 69.91 Favored 'Cis proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.681 -2.216 . . . . 0.0 111.148 -1.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.2 p -74.09 161.09 30.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.231 173.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -130.27 24.88 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.253 -175.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.9 -162.53 33.5 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo . . . . . 0 C--O 1.2 -1.405 0 C-N-CA 121.776 1.651 . . . . 0.0 111.213 179.381 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.758 0.313 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t -114.92 105.21 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -68.56 -58.06 4.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -117.55 147.38 42.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.3 p -122.84 10.55 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.236 -178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.6 -50.24 72.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.222 -175.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.07 -33.17 74.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 -177.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -68.4 -36.39 79.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.285 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.41 -36.8 74.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.234 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.59 -40.18 96.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 176.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.5 mt -80.06 -28.79 39.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.44 43.13 8.09 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.7 p -144.68 135.47 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.221 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.4 t -69.66 142.43 91.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -69.47 -13.93 36.18 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 121.646 1.564 . . . . 0.0 111.186 176.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.5 p -78.0 -11.42 59.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.261 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.34 149.6 47.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -79.77 -179.53 6.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.161 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -61.35 -44.46 97.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 -169.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -68.07 -39.01 83.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.163 -177.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -69.89 -33.0 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.231 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.31 -41.38 96.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.271 173.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.09 -38.63 83.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.24 -41.57 93.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 174.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.93 -38.32 94.1 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -61.09 -44.7 96.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.821 0.344 . . . . 0.0 111.183 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -76.44 -37.31 57.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 -177.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -55.8 -55.58 30.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.81 99.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.249 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.55 85.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.9 mt -76.2 -35.28 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.02 -40.05 79.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.197 -176.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -116.7 26.28 9.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.218 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.9 t-80 -52.23 136.07 40.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 -175.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 99.7 Cg_exo -53.9 -35.68 80.79 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.723 1.615 . . . . 0.0 111.238 -177.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -92.54 6.25 47.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.276 -174.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -83.34 128.86 62.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -52.74 -37.87 76.46 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.586 1.524 . . . . 0.0 111.195 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.2 p -115.37 37.43 3.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.233 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.33 -161.66 37.62 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 176.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -159.98 108.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 111.165 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.8 m -64.27 -42.16 96.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -174.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.22 -40.56 94.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -70.39 -36.35 74.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.187 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.427 ' HA ' HG12 ' A' ' 48' ' ' ILE . 74.2 t80 -58.55 -41.59 85.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 176.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -63.9 -38.66 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.5 -45.37 91.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.227 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.427 HG12 ' HA ' ' A' ' 45' ' ' PHE . 44.3 pt -78.3 -18.45 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.206 -178.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.2 m -67.13 -41.02 86.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 172.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -65.3 -42.76 92.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 171.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.37 87.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 175.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.24 -60.26 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.22 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -55.37 -48.72 73.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.192 -175.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.71 -42.57 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -89.94 -8.07 52.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.283 -176.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -79.21 -53.4 7.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.177 172.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -64.97 116.69 31.99 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 174.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -52.21 -36.61 67.87 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.745 1.63 . . . . 0.0 111.192 -177.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -67.91 -51.1 51.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -66.73 -33.48 75.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -58.04 -48.95 78.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -68.96 -38.3 79.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.188 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.27 -40.07 84.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.172 176.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -61.71 -48.11 82.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.201 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -83.83 0.15 48.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.213 -171.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -119.46 -44.22 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -101.83 -45.77 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.283 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.57 177.37 14.85 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.01 -50.19 74.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 111.196 -177.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -47.6 -47.53 28.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.195 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.49 -56.2 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.77 -35.41 78.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.212 -174.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 69.0 ttt-85 -65.69 -40.99 92.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.3 p -74.83 -23.6 58.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.235 176.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.3 -18.3 8.88 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -176.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.82 -162.2 46.65 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 175.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -60.12 151.26 74.06 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.704 1.603 . . . . 0.0 111.189 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.8 p -67.38 -17.07 64.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.161 -178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -105.19 15.29 27.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.242 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 80.46 -158.11 41.15 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 C--O 1.2 -1.38 0 C-N-CA 121.708 1.605 . . . . 0.0 111.258 -178.033 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.718 0.294 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.32 107.21 22.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -73.67 -59.88 2.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -111.14 147.25 35.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.7 p -119.88 9.01 11.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.71 -51.54 68.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.231 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.9 -32.09 72.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.206 -176.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -69.38 -35.52 75.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.95 -35.33 74.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.02 -41.56 98.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.148 175.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.8 mt -78.56 -28.43 45.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.35 41.97 9.68 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -144.61 138.34 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.755 0.312 . . . . 0.0 111.219 -176.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.1 t -65.55 141.07 97.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.203 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.68 -11.57 26.12 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.722 1.614 . . . . 0.0 111.102 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.2 p -72.97 -17.15 61.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.268 175.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.73 157.91 24.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.168 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -81.52 179.13 7.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -69.06 -30.2 68.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -171.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -63.29 -39.87 95.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.71 -35.44 72.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.5 -38.19 90.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 177.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.6 -48.0 82.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -63.32 -34.11 76.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.225 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.98 -45.59 93.57 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.276 -0.729 . . . . 0.0 111.276 173.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.33 -46.3 90.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.135 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -55.96 -42.31 76.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.194 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.89 -45.89 76.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.252 177.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.64 81.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.11 96.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.26 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.99 -40.74 91.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 173.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.48 -44.71 85.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -107.29 24.45 12.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.286 -177.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.76 133.07 94.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.175 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -54.32 -33.67 77.09 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.629 1.553 . . . . 0.0 111.186 -174.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -92.97 11.89 25.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.268 -171.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -111.45 156.8 40.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.225 176.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -55.86 -31.76 82.4 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.757 1.638 . . . . 0.0 111.244 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.8 p -99.37 19.89 14.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.37 142.73 48.47 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -153.82 104.11 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 111.203 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.9 m -60.27 -43.06 96.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -173.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.16 -51.07 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.92 -32.14 70.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.61 -40.16 96.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.278 176.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.56 -38.89 88.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.44 -45.99 91.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 pt -74.44 -25.07 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.7 m -70.42 -39.92 74.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 175.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -62.52 -47.86 82.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.196 170.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.55 -45.58 73.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.269 177.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' ASN . 61.3 t80 -59.99 -54.97 39.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.148 177.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -52.03 -48.04 64.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.238 -177.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.4 mt -67.3 -43.71 87.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.144 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.9 mt -86.85 -6.9 58.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.208 -174.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.5 t30 -81.77 -57.16 3.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.278 173.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -63.81 116.69 28.72 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.232 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -51.79 -36.89 64.23 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.733 1.622 . . . . 0.0 111.152 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -68.26 -47.63 67.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.2 -37.33 80.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.228 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -60.02 -46.72 88.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -63.36 -40.44 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.312 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.17 -43.86 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.222 176.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -62.89 -50.88 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.196 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.23 -37.17 82.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.26 -176.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -85.81 -39.27 17.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 -173.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -118.24 -45.44 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 -167.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 126.68 -175.86 17.8 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 173.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.37 -44.5 96.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.776 0.322 . . . . 0.0 111.135 -173.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -49.45 -50.32 41.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.291 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.43 90.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.48 80.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -73.71 -35.24 65.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.188 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.4 p -80.01 -20.45 45.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.204 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.87 18.3 54.62 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 135.0 151.79 6.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.84 147.27 82.11 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.73 1.62 . . . . 0.0 111.187 177.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 93.4 p -63.18 -26.75 68.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -116.39 30.12 7.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 174.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -99.15 -157.45 29.09 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo . . . . . 0 C--O 1.199 -1.429 0 C-N-CA 121.68 1.587 . . . . 0.0 111.13 179.852 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 2' ' ' VAL . 99.3 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.805 0.336 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.466 ' N ' ' OG ' ' A' ' 1' ' ' SER . 31.2 m -127.38 160.72 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -65.12 -56.62 11.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -112.85 145.97 39.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.207 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.6 p -116.44 5.74 13.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -54.92 -53.0 61.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.2 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.72 -31.92 71.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 -175.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -70.97 -34.11 71.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 177.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.31 -36.1 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 176.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.25 -41.38 98.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.228 176.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.2 mt -79.83 -28.99 40.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 178.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.14 43.27 9.83 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 p -141.37 142.91 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.346 . . . . 0.0 111.103 -173.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -62.42 143.21 96.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -70.89 -12.06 30.23 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.647 1.565 . . . . 0.0 111.194 178.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.7 p -76.32 -12.64 60.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.23 147.09 44.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.5 p30 -87.22 175.12 8.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 176.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -58.47 -32.54 68.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 -171.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.67 -44.16 74.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.197 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -73.82 -31.32 63.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.65 -36.63 84.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.67 -44.79 93.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 172.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.18 -40.25 81.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.85 -44.95 95.66 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.66 -46.29 90.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.737 0.303 . . . . 0.0 111.145 177.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -55.93 -41.95 75.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.213 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.28 -46.79 75.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.11 -35.05 79.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.234 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.04 95.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.227 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.71 -40.9 92.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 173.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.26 -44.97 84.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.218 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -107.71 25.22 11.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 -177.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.15 132.17 95.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -176.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -54.45 -33.93 79.5 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 C-N-CA 121.694 1.596 . . . . 0.0 111.19 -174.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -92.64 9.64 33.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 -170.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.51 157.61 36.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -55.84 -31.56 81.49 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.715 1.61 . . . . 0.0 111.178 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.8 p -98.9 19.38 15.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.232 -176.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.31 142.41 48.36 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -153.65 104.03 2.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.904 0.383 . . . . 0.0 111.273 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.0 m -60.0 -42.08 93.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.215 -173.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.39 -51.51 69.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.99 -33.08 71.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.151 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -63.0 -40.59 98.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.215 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.46 -43.31 99.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 175.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -59.35 -46.42 88.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.15 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.1 pt -74.3 -24.23 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.27 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.4 m -71.71 -38.75 70.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 175.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.74 -44.33 93.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.248 170.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.82 85.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 176.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' ASN . 48.5 t80 -59.85 -59.34 5.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 178.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -54.03 -49.45 68.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 -175.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.7 -41.43 92.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.225 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.5 -11.13 46.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -175.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.9 t30 -78.31 -53.28 7.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 176.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -65.68 115.87 26.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -52.38 -36.16 67.88 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 121.689 1.592 . . . . 0.0 111.28 -177.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -68.81 -46.61 68.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.75 -36.44 78.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -61.96 -47.18 86.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.237 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -61.97 -38.22 87.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.242 179.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.46 -48.96 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.19 174.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -59.63 -48.53 81.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -64.08 -32.55 74.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -104.66 -67.72 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -175.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -71.27 -39.94 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -170.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.68 175.66 14.27 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.31 -45.88 71.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.735 0.302 . . . . 0.0 111.227 -174.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -48.75 -48.33 40.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.61 -41.74 95.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.27 90.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.223 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -72.73 -36.08 67.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.22 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.9 p -75.82 -23.87 55.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.42 46.28 8.15 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.54 -172.62 35.53 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -177.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -58.26 139.0 88.88 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.704 1.603 . . . . 0.0 111.155 -178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.3 t -68.13 141.68 56.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.219 177.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -62.53 136.2 57.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.18 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.97 107.52 1.0 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 177.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo . . . . . 0 C--O 1.202 -1.287 0 C-N-CA 121.682 1.588 . . . . 0.0 111.26 179.161 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.801 0.334 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.8 103.32 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.3 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -72.01 -61.06 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -109.31 147.15 33.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.292 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.7 p -119.48 8.56 11.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.5 -51.12 69.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -174.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.26 -32.18 72.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.26 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -70.18 -34.49 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.37 -35.92 73.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 176.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.24 -41.59 98.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 176.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -78.55 -29.53 46.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.215 178.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.83 41.94 10.26 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.3 p -143.74 139.62 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 0.0 111.163 -176.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.2 t -64.05 143.93 98.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.3 -11.15 28.3 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.676 1.584 . . . . 0.0 111.22 178.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.3 p -76.46 -11.73 59.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.255 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.62 149.52 45.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -83.29 -178.6 7.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.72 -44.14 96.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -170.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -68.14 -39.32 82.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -67.98 -36.44 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.58 -39.86 95.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 174.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.67 -43.69 98.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 174.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.32 -38.87 81.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.222 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.21 -46.23 93.07 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -60.23 -46.28 90.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 111.216 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -57.16 -41.98 80.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.93 -45.5 81.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 177.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.48 -36.09 82.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.24 96.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.14 -40.73 90.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 173.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.36 -44.65 84.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.187 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -107.11 24.02 13.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.301 -177.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -65.8 132.91 94.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.239 -177.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -54.08 -33.96 75.9 Favored 'Trans proline' 0 C--N 1.328 -0.543 0 C-N-CA 121.672 1.581 . . . . 0.0 111.208 -174.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -92.35 9.95 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 -170.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.18 156.81 38.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 176.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -55.88 -31.73 82.44 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.755 1.637 . . . . 0.0 111.198 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.6 p -99.36 19.7 15.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -176.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.13 142.6 48.5 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -153.82 103.94 2.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.821 0.343 . . . . 0.0 111.147 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.5 m -59.97 -43.37 95.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -173.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.98 -51.09 71.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.298 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.96 -31.96 69.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -62.74 -39.99 95.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.74 -38.65 87.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.247 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.49 -46.04 91.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 pt -74.22 -25.32 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.5 m -70.51 -39.99 73.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.203 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.58 -47.54 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.259 170.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.09 -46.15 71.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.22 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.404 ' O ' ' N ' ' A' ' 56' ' ' ASN . 67.8 t80 -60.0 -54.12 49.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 177.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -52.13 -48.55 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.215 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.6 mt -66.36 -43.49 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -178.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.89 -6.91 58.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.195 -174.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.7 t30 -81.68 -56.7 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.225 173.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -64.36 116.29 26.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.162 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -52.04 -36.49 65.5 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.663 1.575 . . . . 0.0 111.196 -177.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -66.19 -53.37 38.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.79 -37.34 87.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.131 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.2 ttp85 -60.24 -48.06 83.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.184 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.83 -39.69 95.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 93.2 mt -60.81 -43.64 95.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.235 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.54 -51.14 68.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.195 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.57 -36.35 80.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 -175.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -86.46 -39.93 15.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -117.64 -46.39 2.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -166.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.18 -174.12 19.7 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 173.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.77 -44.46 89.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.18 -172.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -60.37 -34.83 74.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.034 -177.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.7 -41.08 72.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.194 174.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.15 89.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.192 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -72.33 -34.12 67.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.245 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.1 m -68.08 -35.93 78.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 175.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.2 29.77 10.94 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.3 178.31 44.12 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -57.66 142.56 95.84 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.722 1.615 . . . . 0.0 111.179 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.4 t 60.74 -157.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -90.98 139.04 31.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.3 -161.28 33.84 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo . . . . . 0 C--O 1.2 -1.382 0 C-N-CA 121.634 1.556 . . . . 0.0 111.19 179.449 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.697 0.284 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.8 t -113.24 100.54 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.55 -64.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -176.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -98.24 149.36 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.2 p -127.72 2.73 6.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.189 -176.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.9 -51.65 68.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.233 -173.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.98 -33.03 74.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -69.78 -36.42 75.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -71.11 -36.14 72.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.67 -39.03 92.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 26' ' ' TYR . 82.0 mt -80.96 -30.26 35.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.79 42.42 9.87 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.1 p -143.64 141.79 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 111.156 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p -72.07 154.54 92.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -175.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.22 -12.02 25.27 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.711 1.608 . . . . 0.0 111.235 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.7 p -74.77 -13.2 60.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.47 143.82 49.9 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.177 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.4 p30 -84.75 -179.65 7.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.22 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -59.19 -35.48 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 -173.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -70.08 -43.18 71.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -72.96 -32.37 65.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.159 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.38 -38.53 91.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 173.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.67 -43.59 97.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.168 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -58.44 -40.93 83.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.88 -43.82 96.42 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 175.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.409 ' HA ' HD22 ' A' ' 11' ' ' LEU . 42.7 t80 -61.91 -45.73 92.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 111.22 177.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -57.97 -42.98 86.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.229 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -67.62 -44.74 77.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.16 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.36 -36.84 85.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.232 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.86 97.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.93 -40.95 83.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.15 -44.2 87.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -107.07 24.72 12.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.219 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -66.0 133.94 94.9 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -177.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -54.03 -33.46 73.32 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.72 1.614 . . . . 0.0 111.248 -174.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -93.16 13.01 22.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.266 -171.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.87 156.06 42.27 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.25 176.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -55.85 -31.96 83.09 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.669 1.579 . . . . 0.0 111.183 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.2 p -99.39 21.5 11.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.37 143.73 48.67 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -151.26 98.32 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 111.183 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.1 m -59.48 -41.98 91.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -172.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.59 -53.55 56.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.183 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -69.48 -31.92 70.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.257 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -58.55 -40.1 82.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.9 -37.51 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.216 174.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.3 -43.05 95.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.164 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.8 pt -73.17 -24.68 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.7 m -69.38 -39.27 78.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 172.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.58 -42.54 95.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.284 170.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.12 83.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 175.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.1 -56.97 15.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -56.05 -50.09 71.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.238 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 86.3 mt -63.29 -45.6 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.177 -175.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 99.1 mt -85.51 -24.0 27.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.219 -170.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -71.01 -46.35 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.241 175.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -66.87 115.61 26.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.248 174.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -52.18 -35.42 62.84 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.699 1.599 . . . . 0.0 111.206 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.06 -58.45 4.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.1 -32.8 74.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.186 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -59.95 -49.33 78.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 176.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.2 -39.09 93.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.174 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.97 -42.56 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.73 -49.99 70.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.01 -37.75 88.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -83.65 -56.85 3.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 -175.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -98.59 -40.33 8.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 -165.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.99 -169.03 19.75 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -67.6 -50.49 58.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 111.235 -170.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -61.65 -35.15 77.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.222 -173.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.93 -41.7 91.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.245 173.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.42 -35.08 79.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -66.5 -39.2 88.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 96.3 p -80.64 -24.36 39.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.252 176.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.69 36.42 29.37 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.428 ' HA3' ' HA ' ' A' ' 77' ' ' PRO . . . 102.3 -158.45 18.15 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -175.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HA ' ' HA3' ' A' ' 76' ' ' GLY . 83.3 Cg_endo -73.42 -179.92 26.74 Favored 'Cis proline' 0 C--N 1.328 -0.512 0 C-N-CA 121.656 -2.227 . . . . 0.0 111.157 -0.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.4 t -59.88 135.24 57.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 173.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -112.6 30.53 7.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -177.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.83 -156.23 28.55 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 177.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo . . . . . 0 C--O 1.2 -1.38 0 C-N-CA 121.788 1.659 . . . . 0.0 111.273 -177.724 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.791 0.329 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.0 m -126.1 160.84 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.249 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -71.45 -63.01 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -96.6 143.28 27.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.209 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -121.57 3.4 10.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.226 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.0 -51.28 69.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -173.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.48 -32.32 72.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.263 -175.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -69.64 -34.65 74.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.252 177.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -71.62 -36.25 70.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.226 177.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.08 -41.28 98.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 177.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.8 mt -80.47 -28.89 37.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.58 43.1 10.57 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.29 141.62 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.35 . . . . 0.0 111.228 -174.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -65.32 144.15 98.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -69.36 -13.44 35.66 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 121.721 1.614 . . . . 0.0 111.228 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.0 p -77.69 -11.12 59.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.3 146.4 48.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.254 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -83.13 -178.45 7.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.228 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.38 -39.85 92.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -171.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -66.74 -41.55 87.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -72.46 -33.5 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.21 -39.76 95.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 173.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.81 -43.24 99.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.204 174.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -57.75 -40.55 79.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.76 -45.32 93.57 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 175.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -62.19 -45.84 91.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 111.242 177.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -57.3 -42.36 81.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.234 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.22 -46.8 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.216 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.29 80.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.41 97.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.82 -40.84 92.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.286 173.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.49 -44.39 84.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.262 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -108.04 25.25 11.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.261 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.4 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.5 t-80 -65.42 132.29 95.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.245 -176.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 80.5 Cg_exo -54.4 -33.9 78.83 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.734 1.623 . . . . 0.0 111.224 -174.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -92.66 9.45 34.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.152 -170.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.23 157.59 36.73 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.209 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -55.99 -31.35 81.86 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.654 1.569 . . . . 0.0 111.237 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.4 p -99.2 19.84 14.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 -176.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.9 141.95 48.3 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -153.52 104.09 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.219 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.9 m -60.11 -42.16 94.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.215 -173.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.27 -51.42 70.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.277 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.08 -33.16 71.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -62.84 -40.32 97.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 176.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.92 -42.92 99.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.269 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.61 -46.26 89.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 -177.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.0 pt -74.13 -24.53 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.251 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.5 m -71.04 -38.99 72.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 175.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -63.35 -43.89 96.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 170.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.64 86.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.0 -56.29 23.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -55.79 -49.87 72.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.189 -176.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.82 -40.94 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.274 -177.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.6 mt -88.17 -5.65 58.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.258 -177.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -82.68 -58.95 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 172.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -61.43 117.24 25.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -52.2 -36.6 67.65 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.668 1.579 . . . . 0.0 111.231 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -68.7 -44.44 73.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.46 -35.36 68.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.7 ttp-105 -64.83 -44.22 90.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.195 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -62.32 -44.29 96.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.93 -42.99 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.272 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -62.11 -51.18 68.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.82 -36.13 80.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 -176.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -87.19 -67.82 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.244 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -80.33 -51.29 9.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -168.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.8 -172.3 22.9 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.48 -47.73 62.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 111.252 -172.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -56.24 -41.96 76.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.279 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.74 -42.26 91.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.19 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.22 94.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.248 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.2 mtp85 -66.59 -41.08 89.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.7 p -83.61 -23.31 31.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.211 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.84 29.02 57.97 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -177.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.37 -160.39 10.75 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -173.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -78.19 177.44 8.77 Favored 'Trans proline' 0 C--N 1.328 -0.509 0 C-N-CA 121.687 1.592 . . . . 0.0 111.196 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.4 p -69.06 157.52 36.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.186 177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -127.29 71.61 1.34 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.189 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.0 -153.35 17.55 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -178.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo . . . . . 0 C--O 1.2 -1.395 0 C-N-CA 121.763 1.642 . . . . 0.0 111.179 179.822 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 2' ' ' VAL . 97.6 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.739 0.304 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.463 ' N ' ' OG ' ' A' ' 1' ' ' SER . 35.2 m -127.02 162.07 32.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -51.42 46.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.205 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -119.26 145.06 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.235 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.5 p -116.49 8.38 13.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.225 -176.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.8 -49.04 74.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -174.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.86 -30.48 64.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.277 -175.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -71.79 -32.97 68.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.233 177.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.1 -36.4 72.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.73 -42.82 99.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.198 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.9 mt -79.04 -29.61 43.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.227 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.42 43.43 9.4 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -141.95 142.4 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.762 0.315 . . . . 0.0 111.243 -174.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.2 t -62.49 138.68 96.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 -176.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -55.0 -27.14 53.0 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.644 1.562 . . . . 0.0 111.233 175.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.0 p -70.74 -16.28 62.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -176.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.99 144.91 53.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -85.59 174.81 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 177.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -58.27 -32.45 68.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 -171.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -68.82 -44.5 73.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -73.89 -31.18 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.235 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.1 mt -65.67 -37.1 85.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.14 -44.6 94.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.26 172.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.07 -41.02 82.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.236 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.94 -44.96 95.79 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -60.22 -47.37 86.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 111.217 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -56.78 -41.98 78.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.184 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.54 -46.27 80.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.158 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.97 -34.6 78.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.37 96.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.0 mt -70.42 -41.45 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 174.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -58.26 -41.96 85.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.224 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -110.67 30.38 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 42.7 t-80 -56.98 123.82 61.67 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.235 -176.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 89.9 Cg_exo -56.52 -34.49 95.17 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.715 1.61 . . . . 0.0 111.221 -172.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -88.68 2.22 53.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 -169.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -103.08 147.2 33.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.091 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.33 -14.22 25.43 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.693 1.596 . . . . 0.0 111.242 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.2 p -107.6 12.11 27.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.202 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.4 -164.23 35.9 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -160.67 106.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 111.098 -178.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.9 m -63.48 -43.26 97.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.219 -174.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.43 -47.97 83.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -66.8 -36.83 83.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -56.22 -43.01 78.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 175.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.47 -39.46 94.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 176.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.67 -44.79 89.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.5 pt -75.39 -23.01 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.3 m -71.18 -39.48 71.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 174.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.36 -48.1 82.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 169.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.87 -45.44 74.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.188 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' ASN . 54.7 t80 -60.01 -55.24 36.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 178.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -51.82 -47.66 64.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.23 -176.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.4 mt -67.15 -42.77 88.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -87.88 -6.07 58.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -174.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.9 t30 -80.85 -57.33 3.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.253 174.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -65.66 116.11 28.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 174.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -52.09 -35.96 64.02 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.737 1.624 . . . . 0.0 111.238 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -68.05 -46.07 72.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -67.93 -35.48 78.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.185 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.4 ttp85 -61.37 -45.18 95.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.209 176.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -62.57 -37.36 85.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.247 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.79 -45.79 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 175.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -65.78 -54.29 29.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -57.5 -39.0 75.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.238 -176.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -84.26 -54.75 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.197 -175.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -100.44 -43.14 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.216 -167.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.02 -178.15 17.24 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.9 -44.61 95.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.784 0.326 . . . . 0.0 111.22 -174.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -50.59 -45.85 57.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.267 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.03 87.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 177.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.71 -33.36 75.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.238 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -80.97 -40.34 24.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.3 p -84.31 -23.58 30.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.21 -175.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.81 54.26 2.09 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.01 -173.39 38.42 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -178.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -59.61 139.21 87.88 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.668 1.579 . . . . 0.0 111.256 -177.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.1 t -85.45 127.38 34.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.155 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -78.95 69.95 5.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.47 169.42 12.89 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo . . . . . 0 C--O 1.199 -1.436 0 C-N-CA 121.56 1.507 . . . . 0.0 111.228 -179.616 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.742 0.306 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.4 t -108.33 97.77 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -77.99 -39.84 41.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.259 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -122.51 141.83 51.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.232 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.8 p -121.07 11.25 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.195 -179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -56.28 -48.12 77.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.188 -174.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.47 -32.45 68.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.163 -176.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -68.86 -34.45 75.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.196 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.61 -35.93 73.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.188 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.3 mt -61.41 -41.21 96.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 175.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.7 mt -79.61 -27.94 41.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.211 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.5 42.26 10.46 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.9 p -144.4 138.92 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.741 0.305 . . . . 0.0 111.258 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.2 t -64.22 143.88 98.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.83 -10.4 26.28 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.725 1.617 . . . . 0.0 111.177 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.9 p -77.43 -11.82 59.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.246 173.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.45 151.83 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.268 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -83.23 179.2 7.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.193 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.9 -40.9 98.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 -169.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -67.27 -39.74 86.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.33 -36.08 78.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.61 -39.79 95.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 175.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.05 -43.84 97.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.32 -38.41 80.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.2 -46.15 93.16 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 174.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -60.75 -46.34 90.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 111.206 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.55 -42.08 77.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.75 -46.3 79.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.229 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.9 -35.83 81.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.5 97.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.01 -40.62 91.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 173.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.28 -44.62 84.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -107.59 23.97 13.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.238 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.5 t-80 -65.61 132.7 95.03 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -176.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 79.5 Cg_exo -54.3 -33.95 78.11 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.722 1.615 . . . . 0.0 111.216 -174.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -92.48 9.62 33.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.226 -170.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.05 157.28 37.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.178 176.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -55.85 -31.63 81.81 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.654 1.569 . . . . 0.0 111.248 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.3 p -99.19 20.17 13.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.226 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.98 142.43 48.49 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -153.28 103.66 2.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.767 0.318 . . . . 0.0 111.234 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.5 m -59.78 -42.15 92.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 -173.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.31 -51.96 67.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.227 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.97 -33.89 72.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.188 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -62.44 -40.69 97.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.126 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.98 -43.13 99.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 175.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.62 -46.68 88.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.204 -177.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 pt -73.66 -25.11 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.0 m -70.98 -40.11 72.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.182 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -62.36 -47.32 84.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.26 170.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.78 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' ASN . 67.2 t80 -59.61 -53.48 57.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -52.88 -48.34 67.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.215 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.93 -42.22 88.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -86.54 -7.0 58.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 -174.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.9 t30 -81.51 -57.94 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 173.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -64.19 116.78 30.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 175.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -52.41 -36.18 68.35 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.666 1.578 . . . . 0.0 111.128 -177.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -68.8 -43.4 75.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.04 -36.56 69.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.181 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.8 ttp-105 -63.97 -44.02 94.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.216 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -57.48 -50.34 73.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.212 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.27 -41.08 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -59.75 -55.52 33.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.203 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -71.1 -28.98 64.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 -175.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -80.9 -39.81 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 -176.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -120.15 -48.62 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.188 -170.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 140.2 -178.8 19.6 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.5 tp -62.68 -49.99 72.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 111.233 -175.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -61.59 -32.23 72.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -176.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.33 84.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.241 172.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.99 78.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.224 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -70.16 -34.33 72.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 177.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.9 p -78.87 -22.62 45.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.22 39.06 13.31 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 175.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.37 179.62 43.33 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -57.08 142.25 94.22 Favored 'Trans proline' 0 C--N 1.327 -0.574 0 C-N-CA 121.768 1.645 . . . . 0.0 111.093 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.1 t -101.1 109.49 21.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.243 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -154.09 160.77 42.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.186 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.55 -176.87 38.65 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo . . . . . 0 C--O 1.2 -1.381 0 C-N-CA 121.726 1.617 . . . . 0.0 111.263 -178.006 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' A' ' 2' ' ' VAL . 97.7 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.765 0.317 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.453 ' N ' ' OG ' ' A' ' 1' ' ' SER . 35.3 m -127.34 162.43 32.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -68.63 -59.19 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -109.27 146.63 33.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.282 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.1 p -115.23 5.18 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.162 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.38 -50.73 61.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.22 -173.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.7 mt -72.24 -32.68 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 -175.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -69.24 -33.58 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.19 175.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -74.38 -34.59 63.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.217 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.23 -41.57 98.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 174.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.2 mt -78.78 -29.51 45.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 178.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.68 43.17 9.32 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 p -140.71 142.88 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 111.193 -174.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -61.76 142.78 94.55 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -70.78 -12.91 31.64 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.728 1.619 . . . . 0.0 111.166 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.0 p -78.4 -11.62 59.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.5 147.43 46.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.271 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -87.17 174.92 8.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -58.21 -32.64 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 -171.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.14 -44.55 75.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.175 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -74.41 -31.07 62.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.0 mt -65.57 -36.86 85.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 175.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.13 -44.4 94.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.218 172.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.3 -40.33 81.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.207 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.94 -44.87 95.85 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.58 -46.3 90.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 111.135 177.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -56.52 -42.43 78.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.38 -45.8 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.11 85.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.0 95.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.264 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.23 -41.29 90.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.249 174.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -57.5 -45.74 84.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -104.46 22.65 14.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -65.59 133.38 95.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 -176.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -54.32 -33.62 76.89 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.714 1.61 . . . . 0.0 111.149 -174.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -93.08 12.11 25.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.181 -171.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.41 156.5 41.15 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -55.96 -31.78 83.24 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 121.698 1.599 . . . . 0.0 111.122 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.5 p -99.43 21.4 12.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.152 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.23 142.48 47.71 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -152.07 100.69 2.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 111.163 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.9 m -59.88 -42.24 93.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.237 -173.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.6 -52.19 66.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -69.67 -33.18 72.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -60.46 -40.05 89.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.17 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.17 -39.23 78.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.242 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.79 -43.81 97.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.9 pt -74.47 -24.82 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 61.8 m -70.09 -40.14 75.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.96 -47.89 81.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 170.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.8 -45.64 70.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ASN . 57.5 t80 -59.63 -55.3 36.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 178.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -52.38 -48.0 65.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -176.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.27 -42.76 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.268 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -87.48 -6.37 58.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.237 -174.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.0 t30 -80.76 -56.68 3.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 174.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -66.76 116.09 31.38 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 174.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -52.44 -35.3 65.13 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.715 1.61 . . . . 0.0 111.213 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -70.47 -43.69 69.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.154 -177.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.4 -38.52 81.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.208 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -62.03 -44.94 95.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -54.34 -46.86 73.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.18 -45.58 92.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -62.46 -50.34 71.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.187 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -60.55 -37.38 81.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 -175.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -87.16 -38.84 16.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 -173.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -117.09 -45.17 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -167.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.68 -177.12 16.93 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 174.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.4 tp -64.25 -45.03 89.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.868 0.366 . . . . 0.0 111.211 -174.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.35 -47.5 47.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.257 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.37 89.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 178.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.96 -36.3 79.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.266 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -78.61 -40.33 34.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.21 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.8 p -81.87 -22.22 37.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 -175.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.69 141.98 9.37 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -177.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.65 170.0 49.63 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -176.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -75.75 154.46 39.05 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 C-N-CA 121.689 1.592 . . . . 0.0 111.221 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.4 t 59.66 -158.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -71.01 128.94 37.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.268 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.51 -176.04 30.89 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo . . . . . 0 C--O 1.2 -1.416 0 C-N-CA 121.693 1.595 . . . . 0.0 111.19 178.927 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.788 0.328 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.2 t -111.53 104.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.54 -61.09 1.9 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.211 -176.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -110.28 148.1 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.201 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.9 p -118.06 4.85 12.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.23 -51.6 57.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.258 -172.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.9 mt -71.48 -33.35 69.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -175.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -68.19 -34.33 76.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.134 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -73.95 -34.57 64.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.37 -40.95 98.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 175.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.1 mt -79.92 -29.15 39.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.208 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.61 43.34 9.28 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.1 p -141.58 142.04 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.908 0.385 . . . . 0.0 111.1 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.5 t -61.98 142.69 95.15 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.32 -11.16 26.5 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.731 1.621 . . . . 0.0 111.254 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.1 p -76.44 -12.19 60.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.209 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.87 147.17 45.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.185 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -85.97 176.01 8.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -58.97 -32.79 69.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 -172.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -68.31 -44.11 76.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.205 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -74.44 -31.19 62.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.203 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.23 -36.96 85.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.22 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.57 -44.82 93.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.255 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.19 -39.39 78.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.266 176.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.57 -44.74 95.35 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 175.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -61.88 -45.11 95.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 111.226 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.33 -42.18 77.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.06 -46.33 74.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.254 177.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.46 80.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.236 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.26 96.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.87 -40.66 91.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.282 173.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.28 -44.88 84.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -107.51 25.1 11.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.202 -177.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -66.12 133.04 94.62 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.24 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -54.09 -33.88 75.66 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.706 1.604 . . . . 0.0 111.231 -174.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -92.76 11.26 27.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.255 -171.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -110.85 156.75 40.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 176.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -55.89 -31.63 82.15 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.633 1.556 . . . . 0.0 111.24 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.3 p -99.42 19.53 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.2 -176.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.28 142.5 48.41 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -154.28 104.63 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.249 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.8 m -60.55 -43.11 97.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -173.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -58.15 -50.74 72.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.228 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.95 -31.66 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -62.78 -40.18 96.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.269 176.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.85 -38.89 90.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.197 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.51 -46.09 91.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.0 pt -74.53 -23.42 18.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.1 m -71.42 -39.16 71.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 176.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -64.81 -42.95 94.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.2 170.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.23 -45.04 84.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.208 175.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' A' ' 56' ' ' ASN . 52.6 t80 -59.99 -59.17 5.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.214 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -53.56 -46.91 70.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -175.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 90.8 mt -67.69 -41.17 85.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -177.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.3 mt -88.58 -7.96 55.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.217 -176.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.1 t30 -80.5 -56.11 4.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.271 175.183 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.4 120.31 57.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.169 174.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -54.56 -40.25 84.7 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.735 1.623 . . . . 0.0 111.234 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -70.11 -43.4 71.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.255 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.07 -39.33 93.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -62.83 -45.55 92.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 177.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.61 -47.68 81.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.165 175.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.8 mt -58.98 -41.8 84.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -60.85 -50.76 72.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.52 -35.64 78.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 -177.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -85.26 -41.24 15.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.226 -174.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -117.75 -44.92 2.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.222 -166.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 126.81 -172.25 18.4 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 173.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.02 -51.78 68.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 111.257 -172.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.48 -48.54 56.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -172.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.62 -47.99 73.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.9 -38.55 76.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -177.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -66.81 -42.48 85.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.239 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.9 p -78.56 -23.68 46.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.167 177.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.04 41.49 10.34 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.1 164.61 51.51 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -78.46 177.28 8.94 Favored 'Trans proline' 0 C--N 1.328 -0.548 0 C-N-CA 121.735 1.623 . . . . 0.0 111.192 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.6 t -65.64 143.04 57.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.266 173.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -119.81 20.25 12.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.263 -176.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.59 -170.69 35.52 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -177.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo . . . . . 0 C--O 1.2 -1.395 0 C-N-CA 121.64 1.56 . . . . 0.0 111.191 -177.8 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.745 0.307 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -82.68 -81.78 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -78.97 142.47 36.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.3 p -118.57 6.2 11.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.21 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -51.03 -52.72 40.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.117 -173.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.6 mt -69.12 -34.22 74.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.129 -174.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.03 -33.96 74.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.191 176.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -73.48 -34.21 65.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.255 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.01 -42.07 98.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 174.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.59 -29.46 46.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.197 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.6 43.06 9.48 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 p -142.42 142.27 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 111.104 -174.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.7 t -60.65 142.22 91.72 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.82 -10.82 25.32 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.759 1.639 . . . . 0.0 111.175 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.8 p -74.88 -13.47 60.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.247 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.81 145.85 48.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -85.27 176.96 8.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.233 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -58.69 -33.81 70.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 -171.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -68.78 -43.87 74.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -74.12 -31.46 62.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.96 -37.26 87.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.204 174.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.8 -44.39 93.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.184 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.26 -40.49 81.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.244 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.25 -44.71 96.28 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -60.2 -46.74 88.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.784 0.326 . . . . 0.0 111.183 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.3 -41.6 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.53 -47.07 77.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.19 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.46 -34.92 79.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.201 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.48 -40.35 96.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.192 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.8 -40.83 92.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 173.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.33 -44.68 84.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -107.81 25.04 12.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.181 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.5 132.43 95.07 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 -176.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -54.46 -33.9 79.45 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.674 1.582 . . . . 0.0 111.266 -174.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -92.44 9.41 34.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.276 -170.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.09 157.52 36.82 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -55.87 -31.67 82.11 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.765 1.643 . . . . 0.0 111.212 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.3 p -99.18 20.01 14.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.231 -176.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.14 142.35 48.42 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -153.37 104.02 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.786 0.327 . . . . 0.0 111.18 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.8 m -60.14 -42.0 93.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.212 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.3 -51.53 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.08 -33.71 72.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.54 -40.41 96.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.93 -43.25 99.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.227 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.58 -46.69 88.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.213 -178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.4 pt -74.03 -25.05 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.19 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.3 m -71.05 -38.56 72.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 175.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.59 -45.63 89.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.05 -43.41 86.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.419 ' O ' ' N ' ' A' ' 56' ' ' ASN . 44.6 t80 -59.97 -58.33 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -57.91 -44.36 86.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.18 -42.22 93.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.252 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.9 mt -87.11 -10.48 52.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.182 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 52' ' ' PHE . 50.8 t30 -73.81 -49.79 23.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.252 174.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -67.25 115.35 25.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 172.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -52.94 -35.71 72.23 Favored 'Trans proline' 0 C--N 1.328 -0.531 0 C-N-CA 121.683 1.588 . . . . 0.0 111.241 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -69.13 -44.73 71.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -177.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -70.88 -35.24 72.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.271 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -62.66 -46.34 88.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.261 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -58.12 -48.24 80.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.8 mt -59.39 -41.64 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -59.64 -50.75 72.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.03 -39.25 89.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.275 -177.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -84.55 -37.04 21.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.244 -171.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -119.74 -46.24 2.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.174 -168.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.38 -173.19 18.63 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.78 -46.73 88.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 111.183 -172.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -50.1 -52.35 35.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.191 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.9 -39.33 90.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.247 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -178.618 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.771 0.32 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -70.38 -59.75 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.23 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -111.32 146.21 37.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.2 p -120.45 9.24 10.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 -177.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -55.19 -51.17 67.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.43 -33.64 74.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -66.57 -36.77 83.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.222 176.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.37 -34.22 72.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.214 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.02 -38.31 88.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.19 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -84.37 -23.97 29.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.72 43.67 8.94 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -145.98 143.52 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 111.185 -176.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.456 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 31.0 t -59.7 138.91 89.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 -177.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 67.3 Cg_exo -55.32 -28.68 63.98 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.775 1.65 . . . . 0.0 111.133 176.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.1 p -77.55 -10.6 59.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 -174.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.04 158.95 32.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -84.53 -176.68 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.251 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 22' ' ' LEU . 59.6 mp0 -72.34 -23.53 61.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.211 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -64.16 -40.54 96.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -74.2 -31.65 62.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 19' ' ' GLU . 80.3 mt -61.37 -39.92 92.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 172.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.93 -43.48 95.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.198 174.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.6 -45.34 94.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.25 177.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.8 -44.53 96.94 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -63.21 -46.03 88.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 111.199 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -58.67 -43.74 90.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.03 -46.62 77.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.223 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.24 -35.73 80.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.216 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.38 96.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.36 -41.22 89.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.211 174.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.98 -43.85 86.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -106.58 23.1 14.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.7 t-80 -64.62 132.07 95.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.237 -176.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 79.9 Cg_exo -54.48 -34.0 80.05 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.649 1.566 . . . . 0.0 111.186 -174.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -92.32 9.07 35.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 -170.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -108.86 157.48 36.72 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.189 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -55.82 -31.37 80.54 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.644 1.563 . . . . 0.0 111.175 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.4 p -99.23 19.69 14.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -176.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.07 141.2 47.79 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -153.36 103.3 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 0.0 111.194 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.0 m -60.42 -41.97 95.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.211 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.87 -51.71 68.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.04 -33.23 71.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.53 -40.04 95.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.215 175.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.43 -42.84 98.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -59.27 -46.45 88.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 -177.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.2 pt -73.21 -25.11 21.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.207 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.9 m -71.56 -38.84 70.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.243 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.63 -44.16 94.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.267 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.06 84.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -60.19 -54.81 41.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -56.56 -49.47 74.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.38 -41.87 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.1 mt -85.43 -15.88 41.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 -174.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -74.17 -52.34 12.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -67.69 116.42 37.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -52.53 -36.55 71.12 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 121.719 1.612 . . . . 0.0 111.235 -178.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -69.32 -43.84 72.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.256 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.12 -35.77 71.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.226 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -63.34 -43.97 96.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -58.53 -50.56 73.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.8 mt -58.51 -41.32 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -60.06 -54.9 40.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -72.09 -25.92 61.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -175.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -82.57 -41.3 19.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -119.23 -45.74 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.245 -170.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.29 179.41 16.42 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.31 -43.62 96.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.771 0.319 . . . . 0.0 111.139 -176.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -48.35 -51.26 27.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.247 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.2 -41.25 90.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.229 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 -179.249 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.1 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.81 0.338 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -72.61 -61.03 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -109.69 148.19 31.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.21 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.1 p -121.09 10.6 10.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.68 -51.89 67.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.218 -175.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.48 -33.23 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.185 -175.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -68.17 -35.73 78.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -70.45 -35.99 73.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.54 -41.05 96.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.203 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.7 mt -80.06 -28.76 39.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.35 42.72 9.08 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p -141.28 142.76 28.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.351 . . . . 0.0 111.115 -174.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.445 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 29.9 t -60.32 138.58 91.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 -178.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 54.1 Cg_exo -56.25 -25.95 58.71 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.731 1.621 . . . . 0.0 111.22 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.3 p -77.19 -10.05 59.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.05 144.73 55.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.8 p30 -83.51 -179.78 7.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.282 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.42 -47.06 76.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.146 -172.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -65.34 -40.85 94.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -71.13 -33.36 70.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.59 -38.67 91.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.26 174.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.61 -43.26 99.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.45 -40.94 79.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.24 -45.55 93.98 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -61.8 -45.41 93.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.213 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.62 -42.62 79.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.65 -46.58 75.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.191 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.21 -35.65 81.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.45 97.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.187 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.9 -40.84 91.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.228 173.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.45 -44.69 84.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -107.91 25.18 11.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -65.24 132.35 95.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 -176.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -54.51 -33.95 80.2 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.716 1.611 . . . . 0.0 111.189 -174.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -92.56 9.57 34.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 -170.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.51 157.59 36.97 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.186 176.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -56.04 -31.41 82.48 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.551 1.501 . . . . 0.0 111.25 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.8 p -99.14 19.91 14.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.11 142.24 48.4 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -153.46 103.94 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 0.0 111.19 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.7 m -60.12 -42.21 94.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -173.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.25 -51.49 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.239 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.01 -33.21 71.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -63.01 -40.21 97.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.74 -43.2 99.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 175.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.34 -46.36 88.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 pt -74.27 -24.63 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.2 m -71.16 -39.21 72.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 175.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -64.13 -44.15 93.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.216 170.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.28 -46.07 83.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 56' ' ' ASN . 61.5 t80 -60.04 -56.74 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -54.31 -47.37 72.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.217 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.1 mt -66.73 -41.09 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.4 mt -87.29 -7.22 58.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -176.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' PHE . 40.1 t30 -81.19 -58.3 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 175.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -63.08 117.19 30.7 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 175.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -52.27 -35.92 65.75 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.711 1.607 . . . . 0.0 111.136 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -68.76 -43.93 74.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.274 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.38 -37.61 71.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.244 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.0 ttp-105 -64.0 -44.45 92.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.179 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.02 -48.47 78.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.7 -43.13 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.275 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -60.16 -50.42 73.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.238 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.87 -36.74 84.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -85.21 -40.23 16.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.214 -173.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -117.01 -45.31 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 -167.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.02 -177.78 17.19 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.88 -48.76 75.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 111.182 -174.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.56 -47.61 57.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.26 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.66 96.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.261 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.248 -179.809 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.805 0.336 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -69.22 -59.7 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 178.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -108.38 145.7 34.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.238 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.8 p -117.41 8.2 12.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.39 -49.34 72.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -174.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.8 mt -72.48 -31.14 65.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 -175.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -70.69 -33.23 70.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 176.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -71.24 -36.4 71.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 177.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.52 -42.74 99.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.283 176.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -77.98 -29.51 49.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.21 42.54 10.52 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.9 p -141.11 141.7 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.714 0.292 . . . . 0.0 111.259 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.6 t -63.75 143.66 98.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.26 -13.65 36.31 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 121.662 1.575 . . . . 0.0 111.282 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.2 p -79.49 -9.98 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.261 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.85 147.75 49.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.207 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -83.45 -178.14 6.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.0 -44.69 94.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.289 -170.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -68.46 -39.72 81.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -67.37 -36.72 81.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.72 -40.03 95.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.253 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.08 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.189 175.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.32 -39.51 83.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.221 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.36 -45.83 93.78 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -60.42 -46.9 88.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.681 0.277 . . . . 0.0 111.136 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -57.46 -41.95 81.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -177.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.16 -46.39 81.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.23 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.95 -36.09 82.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.201 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.03 96.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.264 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.82 -41.33 91.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 174.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -57.26 -45.37 84.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -104.65 21.67 16.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.23 -176.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.35 132.77 95.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -54.53 -33.83 79.85 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.662 1.575 . . . . 0.0 111.227 -174.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -92.03 9.56 32.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.253 -170.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.17 157.11 38.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.218 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -55.96 -31.5 82.14 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.806 1.671 . . . . 0.0 111.215 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.8 p -99.4 20.62 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.263 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.71 141.26 47.62 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -153.04 102.67 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 111.174 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.4 m -60.3 -41.84 94.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.177 -173.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.91 -52.16 66.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.198 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.0 -33.83 72.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.28 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -62.16 -40.42 95.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.43 -42.85 98.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 176.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.07 -45.58 92.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.251 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.4 pt -73.85 -25.49 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.5 m -71.42 -39.19 71.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 175.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.82 -48.99 79.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.169 170.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.43 -45.73 80.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.266 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ASN . 65.9 t80 -59.89 -54.18 49.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.21 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -51.62 -48.06 63.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.249 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.7 mt -67.19 -43.03 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.4 mt -86.52 -7.2 58.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 -174.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.7 t30 -81.71 -57.49 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 174.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -63.9 116.58 28.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -52.11 -36.73 67.23 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 121.676 1.584 . . . . 0.0 111.185 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -68.56 -47.02 67.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.27 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.89 -37.9 82.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.5 ttp85 -60.68 -48.12 83.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.157 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.26 -40.32 93.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.0 mt -61.15 -44.57 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -62.51 -50.06 72.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.214 175.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -61.53 -35.86 78.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -175.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -87.68 -41.21 13.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.189 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -115.2 -47.29 2.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.226 -166.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.9 -175.53 19.07 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.7 tp -64.92 -48.79 72.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 111.121 -172.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.8 -47.08 51.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.245 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.56 92.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.251 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.21 -179.205 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 32.1 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.829 0.347 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.64 -49.34 66.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -121.49 145.28 48.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.2 p -113.91 2.99 15.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -51.64 -50.55 60.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -173.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.8 mt -73.9 -31.97 63.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.289 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -68.5 -33.94 75.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.214 174.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -73.6 -34.64 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.95 -41.76 98.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.222 175.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.428 ' HB2' HG12 ' A' ' 13' ' ' VAL . 80.0 mt -79.38 -29.35 42.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.51 42.85 9.79 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.428 HG12 ' HB2' ' A' ' 11' ' ' LEU . 9.3 p -140.15 142.18 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 111.197 -174.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.417 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 29.6 t -62.43 138.28 96.38 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 -176.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 73.2 Cg_exo -54.85 -27.65 54.2 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.764 1.643 . . . . 0.0 111.23 175.159 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.0 p -70.58 -16.51 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.32 143.85 55.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -84.59 175.97 8.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.212 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 -58.2 -33.34 69.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.194 -171.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.88 -44.37 73.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -74.27 -30.93 62.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.224 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.71 -37.11 85.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 175.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.53 -43.99 96.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.239 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.63 -40.52 83.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.49 -44.55 96.63 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 175.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -60.28 -47.29 86.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.271 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -56.34 -42.28 77.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.195 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.38 -52.03 66.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.21 -35.44 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.1 99.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.206 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.93 -40.24 87.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 174.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.55 -44.51 85.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -107.03 23.39 14.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.199 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.8 t-80 -65.77 133.16 94.97 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.231 -176.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 78.1 Cg_exo -54.12 -33.65 74.96 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.695 1.596 . . . . 0.0 111.181 -174.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -92.89 11.91 25.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -171.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -111.02 156.75 40.37 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.18 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -55.72 -31.97 82.21 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.724 1.616 . . . . 0.0 111.223 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.6 p -99.61 21.66 11.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.07 143.14 48.64 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -152.15 101.6 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.21 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.6 m -59.18 -41.91 89.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.215 -174.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.65 -51.84 68.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -70.47 -34.7 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -60.67 -40.44 92.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.83 -44.22 90.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.223 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.33 -45.09 94.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.7 pt -74.09 -25.2 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.252 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.7 m -71.78 -39.63 69.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.26 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.4 -45.07 89.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.237 171.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.18 81.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' ASN . 59.3 t80 -59.41 -53.52 57.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 178.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -49.45 -49.24 46.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.22 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 90.0 mt -66.74 -43.11 90.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.7 mt -87.43 -5.36 58.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.5 t30 -81.0 -57.29 3.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 174.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -65.44 116.49 31.67 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -51.63 -36.58 61.25 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.664 1.576 . . . . 0.0 111.208 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -68.4 -45.43 72.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 -178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.2 -37.43 80.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -60.39 -47.18 87.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.255 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.64 -40.6 95.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.261 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.1 -42.44 95.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 176.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -61.61 -49.45 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 175.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -63.21 -33.89 76.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 -175.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -90.71 -42.47 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -112.85 -46.11 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.254 -167.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.99 -177.61 18.32 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 173.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.477 ' C ' HD23 ' A' ' 69' ' ' LEU . 9.8 tt -58.43 -49.94 75.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 111.26 -174.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -55.04 -40.55 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.74 -45.36 78.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.256 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.182 -179.535 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 66.6 t . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 120.783 0.325 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -92.67 -60.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -96.03 142.5 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.219 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.8 p -123.89 10.58 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.226 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -54.6 -51.77 64.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.75 -34.22 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.262 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -69.84 -36.5 75.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.16 -36.41 74.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.07 -39.01 93.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.123 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 26' ' ' TYR . 87.4 mt -77.19 -30.6 54.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 176.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.12 42.16 9.7 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -143.3 140.75 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 111.182 -175.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -64.45 142.63 98.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.97 -9.91 24.1 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.733 1.622 . . . . 0.0 111.128 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.7 p -71.56 -16.62 62.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.275 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.1 148.09 42.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.7 p30 -84.82 174.64 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.3 mp0 -60.22 -31.83 70.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 -170.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -68.82 -42.69 76.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -74.29 -30.52 62.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.43 -35.59 80.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 175.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.91 -45.39 90.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 171.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.1 -39.94 83.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 176.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.31 -44.06 96.82 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.402 ' HA ' HD22 ' A' ' 11' ' ' LEU . 42.8 t80 -60.06 -46.41 89.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.763 0.316 . . . . 0.0 111.151 177.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -56.47 -42.22 77.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.56 -43.84 79.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.18 86.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.74 96.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.258 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.02 -40.88 82.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 173.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.88 -44.53 86.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.24 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -106.13 22.81 15.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 59.2 t-80 -65.69 133.69 95.16 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.179 -177.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 76.9 Cg_exo -54.02 -33.36 72.81 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.684 1.59 . . . . 0.0 111.172 -174.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -93.04 13.23 21.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 -171.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -112.01 156.12 42.31 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.196 176.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -55.89 -32.06 83.77 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.68 1.587 . . . . 0.0 111.176 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.5 p -99.37 21.64 11.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.53 143.87 48.72 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -151.18 97.42 2.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.761 0.315 . . . . 0.0 111.223 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.8 m -58.69 -41.35 86.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.244 -173.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.7 -55.37 35.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.11 -32.18 71.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -57.48 -40.33 78.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.233 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.85 -37.07 73.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 174.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.21 -41.94 93.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.1 pt -72.89 -25.19 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.4 m -69.68 -39.66 76.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.285 173.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.11 -47.7 83.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 169.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.69 -43.35 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 176.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -58.46 -55.95 28.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.106 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -52.77 -50.54 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.234 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.39 -44.76 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.245 -176.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.2 mt -89.01 -11.36 44.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.234 -171.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -77.13 -50.42 13.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.181 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -67.93 115.84 32.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.26 172.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -52.39 -36.59 69.74 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.744 1.629 . . . . 0.0 111.171 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -70.13 -47.7 60.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.63 -35.46 78.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -59.5 -46.61 88.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -64.72 -40.6 95.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.0 mt -59.11 -43.89 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.225 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -60.01 -50.56 73.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -70.81 -33.15 70.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.229 -173.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -84.59 -36.78 21.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 -175.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -118.97 -46.23 2.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.285 -170.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.18 177.94 15.15 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.8 -44.96 96.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.89 0.376 . . . . 0.0 111.187 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -48.83 -48.83 41.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.24 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.74 92.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -178.504 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.806 0.336 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.66 -60.75 2.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.253 -176.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -109.57 148.37 31.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.179 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.5 p -117.17 4.49 12.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.76 -52.1 57.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 -172.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.73 -33.91 74.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.195 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -68.59 -33.97 74.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.212 176.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -74.29 -33.79 63.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.74 -41.54 99.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.215 174.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.0 mt -77.67 -30.15 51.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.0 42.19 9.77 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -143.39 140.0 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.865 0.365 . . . . 0.0 111.237 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.7 t -63.61 143.33 97.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.95 -10.67 26.53 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.674 1.582 . . . . 0.0 111.169 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.9 p -76.84 -11.82 59.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 173.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.8 148.15 46.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -82.58 -178.62 7.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.61 -41.98 95.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -171.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.84 -40.27 83.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -71.43 -33.71 69.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.229 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.95 -39.63 94.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.56 -43.22 99.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 174.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -57.71 -41.28 81.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.79 -45.6 93.3 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -61.27 -47.43 86.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.757 0.313 . . . . 0.0 111.109 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -57.11 -42.0 80.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.88 -47.45 77.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.72 -33.97 75.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.139 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.96 97.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.185 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -72.52 -39.51 67.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.286 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.09 -42.31 85.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -110.07 21.09 17.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 -176.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.1 t-80 -51.4 133.93 33.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.249 -173.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 98.2 Cg_exo -54.7 -34.97 86.01 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 121.737 1.625 . . . . 0.0 111.214 -176.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -92.47 4.49 53.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.225 -173.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -82.75 130.54 57.8 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -52.34 -37.69 71.82 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.71 1.607 . . . . 0.0 111.194 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.0 p -115.18 36.53 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.17 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.39 -164.72 40.43 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -156.46 100.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 111.206 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.3 m -61.87 -42.25 98.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.16 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.97 -48.6 80.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.195 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -66.49 -36.43 82.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.197 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -57.01 -41.94 79.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.81 -39.45 93.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -63.82 -44.64 92.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.4 pt -75.01 -23.56 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.8 m -70.65 -38.86 73.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -63.16 -44.29 95.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.254 170.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.53 82.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.243 176.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.28 -56.12 25.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -54.45 -47.74 72.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.179 -176.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.0 mt -66.6 -41.97 89.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.226 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.6 mt -87.18 -8.95 56.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 -175.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -81.47 -57.93 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 174.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.0 121.25 60.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 175.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -54.02 -42.84 63.52 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.725 1.617 . . . . 0.0 111.167 -175.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -66.46 -50.31 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.205 -177.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.22 -39.9 92.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -60.44 -47.89 84.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -62.43 -39.5 93.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.25 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.91 -43.96 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.193 177.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.02 -50.62 71.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 175.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.02 -36.58 82.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -175.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -86.74 -39.91 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 -173.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -117.23 -45.75 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -167.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.12 -177.19 17.79 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.7 tp -63.66 -46.93 83.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.332 . . . . 0.0 111.182 -174.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.58 -47.45 49.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.242 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.17 -44.51 91.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.222 177.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 -179.375 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.837 0.351 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -71.75 -59.22 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.249 -176.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -111.88 145.57 39.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.1 p -120.77 11.15 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -55.86 -53.07 61.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.52 -33.35 74.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 -175.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -68.75 -37.43 79.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.303 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.82 -36.94 73.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.9 -39.37 94.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 26' ' ' TYR . 86.9 mt -78.15 -31.01 49.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.183 177.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.14 42.78 8.5 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.6 p -141.39 142.62 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.354 . . . . 0.0 111.212 -175.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.416 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 30.1 t -60.99 137.99 94.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.231 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 56.9 Cg_exo -55.76 -26.73 58.21 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.653 1.569 . . . . 0.0 111.194 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.0 p -73.86 -13.37 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.97 144.85 55.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -84.09 175.68 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.191 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -59.38 -31.78 69.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 -171.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -69.43 -44.46 71.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.149 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -74.2 -30.9 62.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.453 HD13 ' HB3' ' A' ' 55' ' ' LEU . 94.3 mt -66.94 -35.94 81.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 175.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -59.29 -45.09 92.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 171.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.54 -39.25 79.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.51 -44.14 95.58 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.425 ' HA ' HD22 ' A' ' 11' ' ' LEU . 49.0 t80 -61.4 -45.33 94.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.795 0.331 . . . . 0.0 111.204 177.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -56.92 -42.98 80.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.69 -44.55 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.53 87.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.23 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.21 -40.95 95.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.77 -41.36 83.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.277 174.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -58.1 -45.52 87.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.167 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -104.38 22.2 15.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.201 -176.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 59.2 t-80 -65.53 133.64 95.31 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.221 -176.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 77.0 Cg_exo -54.18 -33.41 74.61 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.771 1.647 . . . . 0.0 111.105 -174.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -93.01 12.32 24.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.186 -171.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.14 156.1 41.53 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.209 176.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -55.59 -32.11 81.82 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.695 1.597 . . . . 0.0 111.21 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.8 p -99.3 21.92 11.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.02 143.37 48.63 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -150.93 97.1 2.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 111.23 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.5 m -58.99 -41.49 87.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.18 -173.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.23 -55.02 40.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.226 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.25 -32.03 70.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -58.48 -36.6 74.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.209 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -75.19 -36.38 61.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 174.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.56 -42.76 95.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 pt -72.04 -22.03 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.1 m -72.99 -37.68 66.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -65.59 -41.62 92.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 168.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.94 -45.59 78.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.256 175.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 56' ' ' ASN . 59.8 t80 -60.06 -58.08 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 178.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -53.84 -47.44 70.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.4 mt -66.16 -43.0 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.158 -178.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.453 ' HB3' HD13 ' A' ' 22' ' ' LEU . 96.7 mt -89.65 -8.89 51.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -173.348 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.7 t30 -78.23 -53.92 6.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.188 174.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -66.82 115.81 28.72 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 173.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -52.24 -35.8 65.0 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.698 1.599 . . . . 0.0 111.112 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -68.32 -46.84 69.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.123 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -68.31 -36.21 78.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.221 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -59.99 -46.26 90.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -63.37 -41.65 98.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.58 -41.84 89.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.28 -50.96 70.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.22 174.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.58 -34.64 78.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.254 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -87.64 -41.27 13.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.297 -174.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -118.21 -46.23 2.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 -165.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.69 -175.56 20.45 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 171.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.509 ' C ' HD23 ' A' ' 69' ' ' LEU . 8.0 tt -65.36 -54.49 28.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.8 0.333 . . . . 0.0 111.179 -171.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -59.78 -33.3 71.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.24 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.53 -40.46 97.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.229 173.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 177.678 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.833 0.349 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -68.34 -62.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -109.04 145.5 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.194 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.4 p -118.97 7.11 11.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.231 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.58 -52.89 63.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.258 -174.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.47 -34.0 77.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.252 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -69.66 -36.0 75.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.179 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -71.77 -35.56 70.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.37 -38.82 92.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 26' ' ' TYR . 79.6 mt -83.67 -28.5 28.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 177.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.51 43.86 8.25 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p -142.26 140.98 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 111.214 -175.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.2 t -63.95 143.35 98.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.62 -12.23 28.9 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 121.616 1.544 . . . . 0.0 111.158 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.8 p -73.43 -15.21 61.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 174.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 21' ' ' GLU . . . -73.63 148.36 42.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.168 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.1 p30 -83.42 174.56 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.244 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.3 mp0 -60.16 -31.2 69.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.88 -44.27 73.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.218 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 80.0 mm-40 -73.65 -32.14 63.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 178.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.441 HD13 ' HB3' ' A' ' 55' ' ' LEU . 94.0 mt -65.79 -36.16 82.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 175.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.33 -44.87 95.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 172.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -57.67 -38.28 74.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.66 -44.82 93.86 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.412 ' HA ' HD22 ' A' ' 11' ' ' LEU . 64.2 t80 -62.71 -47.09 85.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.769 0.318 . . . . 0.0 111.252 177.018 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -52.44 -43.25 64.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.61 -54.39 32.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.153 175.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.94 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.0 98.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.265 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.68 -40.74 76.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.26 -43.88 88.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.255 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -107.72 16.83 23.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -51.98 137.01 36.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 -176.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -51.92 -35.23 59.36 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.621 1.547 . . . . 0.0 111.244 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -89.26 -8.07 54.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.28 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -68.25 124.43 89.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.23 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -52.85 -36.77 75.56 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.727 1.618 . . . . 0.0 111.152 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.0 p -113.11 35.32 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.233 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.29 -162.98 37.59 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -161.29 108.85 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 0.0 111.3 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.4 m -63.27 -44.21 95.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.218 -173.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.59 -47.49 85.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -66.65 -36.29 82.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.255 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -58.3 -41.34 84.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.11 -39.35 93.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.99 -44.49 92.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.239 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.5 pt -76.7 -19.65 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 57.7 m -72.85 -37.41 67.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 174.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -63.63 -41.85 98.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.266 168.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.22 -44.13 83.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 174.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -60.04 -59.99 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -54.69 -44.81 73.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 -176.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.3 -46.43 87.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.441 ' HB3' HD13 ' A' ' 22' ' ' LEU . 97.4 mt -88.8 -5.72 57.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.268 -172.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -80.59 -55.4 4.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.2 172.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -68.71 115.72 33.54 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.264 173.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -52.28 -35.67 64.95 Favored 'Trans proline' 0 C--N 1.328 -0.544 0 C-N-CA 121.661 1.574 . . . . 0.0 111.153 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -68.37 -45.67 72.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.224 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -70.0 -33.73 72.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.197 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.6 ttp85 -59.39 -45.98 89.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.17 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.77 -42.08 97.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.224 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.4 mt -60.29 -39.89 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.283 177.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -62.6 -50.25 72.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.54 -26.61 67.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 -175.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -96.13 -43.28 7.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 -174.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -111.12 -51.49 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.199 -168.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 139.24 -176.38 21.04 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 173.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.484 ' C ' HD23 ' A' ' 69' ' ' LEU . 8.3 tt -62.35 -53.96 47.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.803 0.335 . . . . 0.0 111.214 -170.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -54.36 -45.64 72.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -175.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.2 -37.91 87.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.245 -177.068 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.79 0.329 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -69.26 -59.83 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -108.38 146.41 33.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.9 p -117.65 8.36 12.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.284 -177.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -55.84 -49.56 72.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.179 -174.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.5 mt -71.54 -31.63 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.227 -175.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -70.51 -33.42 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.243 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -71.93 -36.38 69.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 176.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.8 -41.59 97.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.193 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.3 mt -79.82 -29.45 40.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.229 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.89 42.49 11.04 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.0 p -139.69 142.03 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.873 0.368 . . . . 0.0 111.246 -174.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.0 t -64.03 144.13 98.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.223 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.13 -13.26 35.93 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.701 1.601 . . . . 0.0 111.195 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.7 p -78.4 -10.93 59.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.37 145.34 51.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -84.46 -178.59 6.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -55.17 -48.44 73.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.152 -173.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.08 -40.32 94.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.199 -175.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -70.94 -33.53 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.95 -39.45 94.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.171 173.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.09 -42.5 99.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.246 175.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.62 -40.35 78.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.262 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.1 -45.54 93.8 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 175.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -61.8 -45.01 95.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 111.24 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -58.09 -42.93 86.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.17 -44.9 82.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.09 77.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.203 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.82 82.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.73 -35.99 79.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 173.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.36 -41.71 93.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -124.19 59.89 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.458 ' HB3' ' HB2' ' A' ' 37' ' ' LYS . 55.2 t-80 -72.73 137.9 80.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 -178.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -52.28 -34.87 61.79 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.67 1.58 . . . . 0.0 111.249 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -96.11 9.01 42.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -175.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.458 ' HB2' ' HB3' ' A' ' 34' ' ' HIS . 85.1 tttt -83.26 124.65 75.86 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.57 -16.87 23.92 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.635 1.557 . . . . 0.0 111.187 -174.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.2 p -116.88 18.31 14.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.9 154.89 17.77 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -104.79 114.49 28.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 0.0 111.199 -178.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.4 m -57.45 -35.8 70.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.95 -33.26 75.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -72.17 -34.8 68.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.215 174.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -60.44 -40.93 92.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.245 171.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.82 -42.98 94.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.192 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.84 -47.7 83.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.8 pt -74.04 -23.77 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.259 -177.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.2 m -71.27 -39.33 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.24 175.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -63.73 -43.93 95.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.287 170.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.93 -45.63 86.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.62 -56.73 17.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -54.8 -49.51 70.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.225 -176.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.31 -42.01 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.254 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -86.93 -9.27 56.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.275 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -80.81 -55.57 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.23 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -63.61 116.48 26.51 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -51.98 -35.09 59.44 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.685 1.59 . . . . 0.0 111.208 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -67.84 -58.18 5.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.17 -35.96 78.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.234 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -60.01 -49.94 75.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.285 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -62.43 -39.27 92.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.2 -44.08 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.271 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -63.01 -50.7 69.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -61.23 -36.21 79.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 -175.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -87.43 -41.04 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -116.85 -45.43 2.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 -165.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.54 -175.46 18.98 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 173.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.4 tp -64.47 -46.27 83.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.766 0.317 . . . . 0.0 111.177 -172.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.55 -47.77 57.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.38 90.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.107 179.518 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.773 0.32 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -68.56 -58.06 4.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -117.55 147.38 42.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.3 p -122.84 10.55 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.236 -178.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.6 -50.24 72.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.222 -175.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.07 -33.17 74.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 -177.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -68.4 -36.39 79.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.285 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.41 -36.8 74.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.234 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.59 -40.18 96.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 176.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.5 mt -80.06 -28.79 39.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.44 43.13 8.09 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.7 p -144.68 135.47 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.221 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.4 t -69.66 142.43 91.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -69.47 -13.93 36.18 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 121.646 1.564 . . . . 0.0 111.186 176.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.5 p -78.0 -11.42 59.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.261 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.34 149.6 47.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -79.77 -179.53 6.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.161 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -61.35 -44.46 97.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 -169.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -68.07 -39.01 83.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.163 -177.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -69.89 -33.0 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.231 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.31 -41.38 96.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.271 173.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.09 -38.63 83.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.24 -41.57 93.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 174.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.93 -38.32 94.1 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -61.09 -44.7 96.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.821 0.344 . . . . 0.0 111.183 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -76.44 -37.31 57.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 -177.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -55.8 -55.58 30.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.81 99.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.249 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.55 85.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.9 mt -76.2 -35.28 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.02 -40.05 79.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.197 -176.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -116.7 26.28 9.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.218 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.9 t-80 -52.23 136.07 40.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 -175.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 99.7 Cg_exo -53.9 -35.68 80.79 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.723 1.615 . . . . 0.0 111.238 -177.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -92.54 6.25 47.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.276 -174.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -83.34 128.86 62.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -52.74 -37.87 76.46 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.586 1.524 . . . . 0.0 111.195 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.2 p -115.37 37.43 3.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.233 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.33 -161.66 37.62 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 176.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -159.98 108.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 111.165 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.8 m -64.27 -42.16 96.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -174.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.22 -40.56 94.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -70.39 -36.35 74.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.187 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.42 ' HA ' HG12 ' A' ' 48' ' ' ILE . 74.2 t80 -58.55 -41.59 85.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 176.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -63.9 -38.66 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.5 -45.37 91.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.227 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.42 HG12 ' HA ' ' A' ' 45' ' ' PHE . 44.3 pt -78.3 -18.45 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.206 -178.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.2 m -67.13 -41.02 86.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 172.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -65.3 -42.76 92.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 171.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.37 87.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 175.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.24 -60.26 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.22 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -55.37 -48.72 73.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.192 -175.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.71 -42.57 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -89.94 -8.07 52.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.283 -176.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -79.21 -53.4 7.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.177 172.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -64.97 116.69 31.99 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 174.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -52.21 -36.61 67.87 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.745 1.63 . . . . 0.0 111.192 -177.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -67.91 -51.1 51.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -66.73 -33.48 75.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -58.04 -48.95 78.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -68.96 -38.3 79.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.188 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.27 -40.07 84.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.172 176.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -61.71 -48.11 82.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.201 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -83.83 0.15 48.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.213 -171.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -119.46 -44.22 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -101.83 -45.77 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.283 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.57 177.37 14.85 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.01 -50.19 74.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 111.196 -177.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -47.6 -47.53 28.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.195 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.49 -56.2 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.212 -174.409 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.846 0.355 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -73.67 -59.88 2.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -111.14 147.25 35.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.7 p -119.88 9.01 11.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.71 -51.54 68.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.231 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.9 -32.09 72.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.206 -176.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -69.38 -35.52 75.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.95 -35.33 74.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.02 -41.56 98.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.148 175.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.8 mt -78.56 -28.43 45.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.35 41.97 9.68 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -144.61 138.34 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.755 0.312 . . . . 0.0 111.219 -176.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.1 t -65.55 141.07 97.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.203 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.68 -11.57 26.12 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.722 1.614 . . . . 0.0 111.102 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.2 p -72.97 -17.15 61.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.268 175.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.73 157.91 24.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.168 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -81.52 179.13 7.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -69.06 -30.2 68.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -171.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -63.29 -39.87 95.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.71 -35.44 72.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.5 -38.19 90.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 177.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.6 -48.0 82.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -63.32 -34.11 76.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.225 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.98 -45.59 93.57 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.276 -0.729 . . . . 0.0 111.276 173.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.33 -46.3 90.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.135 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -55.96 -42.31 76.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.194 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.89 -45.89 76.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.252 177.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.64 81.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.11 96.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.26 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.99 -40.74 91.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 173.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.48 -44.71 85.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -107.29 24.45 12.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.286 -177.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.76 133.07 94.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.175 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -54.32 -33.67 77.09 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.629 1.553 . . . . 0.0 111.186 -174.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -92.97 11.89 25.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.268 -171.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -111.45 156.8 40.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.225 176.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -55.86 -31.76 82.4 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.757 1.638 . . . . 0.0 111.244 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.8 p -99.37 19.89 14.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.37 142.73 48.47 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -153.82 104.11 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 111.203 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.9 m -60.27 -43.06 96.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -173.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.16 -51.07 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.92 -32.14 70.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.61 -40.16 96.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.278 176.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.56 -38.89 88.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.44 -45.99 91.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 pt -74.44 -25.07 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.7 m -70.42 -39.92 74.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 175.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -62.52 -47.86 82.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.196 170.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.55 -45.58 73.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.269 177.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' ASN . 61.3 t80 -59.99 -54.97 39.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.148 177.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -52.03 -48.04 64.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.238 -177.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.4 mt -67.3 -43.71 87.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.144 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.9 mt -86.85 -6.9 58.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.208 -174.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.5 t30 -81.77 -57.16 3.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.278 173.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -63.81 116.69 28.72 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.232 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -51.79 -36.89 64.23 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.733 1.622 . . . . 0.0 111.152 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -68.26 -47.63 67.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.2 -37.33 80.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.228 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -60.02 -46.72 88.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -63.36 -40.44 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.312 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.17 -43.86 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.222 176.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -62.89 -50.88 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.196 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.23 -37.17 82.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.26 -176.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -85.81 -39.27 17.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 -173.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -118.24 -45.44 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 -167.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 126.68 -175.86 17.8 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 173.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.37 -44.5 96.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.776 0.322 . . . . 0.0 111.135 -173.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -49.45 -50.32 41.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.291 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.43 90.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 -179.037 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.787 0.327 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -65.12 -56.62 11.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -112.85 145.97 39.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.207 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.6 p -116.44 5.74 13.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -54.92 -53.0 61.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.2 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.72 -31.92 71.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 -175.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -70.97 -34.11 71.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 177.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.31 -36.1 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 176.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.25 -41.38 98.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.228 176.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.2 mt -79.83 -28.99 40.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 178.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.14 43.27 9.83 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 p -141.37 142.91 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.346 . . . . 0.0 111.103 -173.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -62.42 143.21 96.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -70.89 -12.06 30.23 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.647 1.565 . . . . 0.0 111.194 178.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.7 p -76.32 -12.64 60.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.23 147.09 44.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.5 p30 -87.22 175.12 8.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 176.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -58.47 -32.54 68.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 -171.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.67 -44.16 74.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.197 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -73.82 -31.32 63.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.65 -36.63 84.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.67 -44.79 93.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 172.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.18 -40.25 81.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.85 -44.95 95.66 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.66 -46.29 90.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.737 0.303 . . . . 0.0 111.145 177.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -55.93 -41.95 75.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.213 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.28 -46.79 75.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.11 -35.05 79.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.234 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.04 95.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.227 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.71 -40.9 92.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 173.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.26 -44.97 84.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.218 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -107.71 25.22 11.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 -177.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.15 132.17 95.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -176.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -54.45 -33.93 79.5 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 C-N-CA 121.694 1.596 . . . . 0.0 111.19 -174.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -92.64 9.64 33.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 -170.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.51 157.61 36.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -55.84 -31.56 81.49 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.715 1.61 . . . . 0.0 111.178 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.8 p -98.9 19.38 15.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.232 -176.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.31 142.41 48.36 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -153.65 104.03 2.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.904 0.383 . . . . 0.0 111.273 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.0 m -60.0 -42.08 93.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.215 -173.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.39 -51.51 69.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.99 -33.08 71.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.151 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -63.0 -40.59 98.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.215 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.46 -43.31 99.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 175.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -59.35 -46.42 88.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.15 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.1 pt -74.3 -24.23 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.27 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.4 m -71.71 -38.75 70.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 175.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.74 -44.33 93.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.248 170.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.82 85.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 176.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' ASN . 48.5 t80 -59.85 -59.34 5.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 178.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -54.03 -49.45 68.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 -175.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.7 -41.43 92.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.225 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.5 -11.13 46.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -175.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.9 t30 -78.31 -53.28 7.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 176.165 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -65.68 115.87 26.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -52.38 -36.16 67.88 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 121.689 1.592 . . . . 0.0 111.28 -177.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -68.81 -46.61 68.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.75 -36.44 78.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -61.96 -47.18 86.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.237 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -61.97 -38.22 87.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.242 179.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.46 -48.96 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.19 174.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -59.63 -48.53 81.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -64.08 -32.55 74.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -104.66 -67.72 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -175.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -71.27 -39.94 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -170.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.68 175.66 14.27 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.31 -45.88 71.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.735 0.302 . . . . 0.0 111.227 -174.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -48.75 -48.33 40.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.61 -41.74 95.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.223 -179.339 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 CA--C 1.523 -0.087 0 CA-C-O 120.778 0.323 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -72.01 -61.06 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -109.31 147.15 33.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.292 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.7 p -119.48 8.56 11.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.5 -51.12 69.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -174.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.26 -32.18 72.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.26 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -70.18 -34.49 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.37 -35.92 73.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 176.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.24 -41.59 98.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 176.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -78.55 -29.53 46.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.215 178.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.83 41.94 10.26 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.3 p -143.74 139.62 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 0.0 111.163 -176.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.2 t -64.05 143.93 98.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.3 -11.15 28.3 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.676 1.584 . . . . 0.0 111.22 178.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.3 p -76.46 -11.73 59.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.255 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.62 149.52 45.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -83.29 -178.6 7.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.72 -44.14 96.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -170.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -68.14 -39.32 82.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -67.98 -36.44 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.58 -39.86 95.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 174.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.67 -43.69 98.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 174.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.32 -38.87 81.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.222 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.21 -46.23 93.07 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -60.23 -46.28 90.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 111.216 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -57.16 -41.98 80.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.93 -45.5 81.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 177.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.48 -36.09 82.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.24 96.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.14 -40.73 90.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 173.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.36 -44.65 84.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.187 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -107.11 24.02 13.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.301 -177.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -65.8 132.91 94.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.239 -177.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -54.08 -33.96 75.9 Favored 'Trans proline' 0 C--N 1.328 -0.543 0 C-N-CA 121.672 1.581 . . . . 0.0 111.208 -174.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -92.35 9.95 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 -170.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.18 156.81 38.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 176.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -55.88 -31.73 82.44 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.755 1.637 . . . . 0.0 111.198 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.6 p -99.36 19.7 15.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -176.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.13 142.6 48.5 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -153.82 103.94 2.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.821 0.343 . . . . 0.0 111.147 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.5 m -59.97 -43.37 95.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -173.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.98 -51.09 71.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.298 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.96 -31.96 69.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -62.74 -39.99 95.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.74 -38.65 87.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.247 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.49 -46.04 91.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 pt -74.22 -25.32 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.5 m -70.51 -39.99 73.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.203 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.58 -47.54 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.259 170.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.09 -46.15 71.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.22 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.404 ' O ' ' N ' ' A' ' 56' ' ' ASN . 67.8 t80 -60.0 -54.12 49.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 177.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -52.13 -48.55 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.215 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.6 mt -66.36 -43.49 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -178.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.89 -6.91 58.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.195 -174.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.7 t30 -81.68 -56.7 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.225 173.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -64.36 116.29 26.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.162 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -52.04 -36.49 65.5 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.663 1.575 . . . . 0.0 111.196 -177.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -66.19 -53.37 38.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.79 -37.34 87.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.131 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.2 ttp85 -60.24 -48.06 83.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.184 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.83 -39.69 95.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 93.2 mt -60.81 -43.64 95.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.235 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.54 -51.14 68.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.195 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.57 -36.35 80.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 -175.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -86.46 -39.93 15.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -117.64 -46.39 2.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -166.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.18 -174.12 19.7 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 173.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.77 -44.46 89.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.18 -172.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -60.37 -34.83 74.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.034 -177.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.7 -41.08 72.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.194 174.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.192 178.289 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.8 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.867 0.365 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.55 -64.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -176.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -98.24 149.36 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.2 p -127.72 2.73 6.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.189 -176.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.9 -51.65 68.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.233 -173.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.98 -33.03 74.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -69.78 -36.42 75.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -71.11 -36.14 72.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.67 -39.03 92.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 26' ' ' TYR . 82.0 mt -80.96 -30.26 35.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.79 42.42 9.87 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.1 p -143.64 141.79 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 111.156 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p -72.07 154.54 92.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -175.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.22 -12.02 25.27 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.711 1.608 . . . . 0.0 111.235 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.7 p -74.77 -13.2 60.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 21' ' ' GLU . . . -71.47 143.82 49.9 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.177 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.4 p30 -84.75 -179.65 7.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.22 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -59.19 -35.48 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 -173.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -70.08 -43.18 71.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 80.8 mm-40 -72.96 -32.37 65.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.159 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.38 -38.53 91.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 173.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.67 -43.59 97.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.168 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -58.44 -40.93 83.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.88 -43.82 96.42 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 175.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.415 ' HA ' HD22 ' A' ' 11' ' ' LEU . 42.7 t80 -61.91 -45.73 92.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 111.22 177.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -57.97 -42.98 86.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.229 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -67.62 -44.74 77.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.16 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.36 -36.84 85.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.232 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.86 97.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.93 -40.95 83.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.15 -44.2 87.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -107.07 24.72 12.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.219 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 59.3 t-80 -66.0 133.94 94.9 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -177.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 79.2 Cg_exo -54.03 -33.46 73.32 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.72 1.614 . . . . 0.0 111.248 -174.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -93.16 13.01 22.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.266 -171.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.87 156.06 42.27 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.25 176.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -55.85 -31.96 83.09 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.669 1.579 . . . . 0.0 111.183 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.2 p -99.39 21.5 11.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.37 143.73 48.67 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -151.26 98.32 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 111.183 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.1 m -59.48 -41.98 91.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -172.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.59 -53.55 56.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.183 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -69.48 -31.92 70.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.257 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -58.55 -40.1 82.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.9 -37.51 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.216 174.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.3 -43.05 95.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.164 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.8 pt -73.17 -24.68 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.7 m -69.38 -39.27 78.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 172.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.58 -42.54 95.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.284 170.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.12 83.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 175.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.1 -56.97 15.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -56.05 -50.09 71.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.238 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 86.3 mt -63.29 -45.6 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.177 -175.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 99.1 mt -85.51 -24.0 27.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.219 -170.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -71.01 -46.35 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.241 175.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -66.87 115.61 26.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.248 174.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -52.18 -35.42 62.84 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.699 1.599 . . . . 0.0 111.206 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.06 -58.45 4.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.1 -32.8 74.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.186 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -59.95 -49.33 78.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 176.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.2 -39.09 93.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.174 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.97 -42.56 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.73 -49.99 70.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.01 -37.75 88.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -83.65 -56.85 3.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 -175.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -98.59 -40.33 8.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 -165.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.99 -169.03 19.75 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -67.6 -50.49 58.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 111.235 -170.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -61.65 -35.15 77.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.222 -173.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.93 -41.7 91.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.245 173.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 177.851 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.776 0.322 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -71.45 -63.01 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -96.6 143.28 27.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.209 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -121.57 3.4 10.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.226 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.0 -51.28 69.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -173.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.48 -32.32 72.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.263 -175.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -69.64 -34.65 74.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.252 177.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -71.62 -36.25 70.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.226 177.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.08 -41.28 98.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 177.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.8 mt -80.47 -28.89 37.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.58 43.1 10.57 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.29 141.62 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.35 . . . . 0.0 111.228 -174.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -65.32 144.15 98.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -69.36 -13.44 35.66 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 121.721 1.614 . . . . 0.0 111.228 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.0 p -77.69 -11.12 59.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.3 146.4 48.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.254 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -83.13 -178.45 7.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.228 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.38 -39.85 92.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -171.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -66.74 -41.55 87.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -72.46 -33.5 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.21 -39.76 95.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 173.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.81 -43.24 99.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.204 174.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -57.75 -40.55 79.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.76 -45.32 93.57 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 175.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -62.19 -45.84 91.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 111.242 177.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -57.3 -42.36 81.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.234 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.22 -46.8 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.216 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.29 80.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.41 97.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.82 -40.84 92.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.286 173.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.49 -44.39 84.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.262 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -108.04 25.25 11.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.261 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -65.42 132.29 95.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.245 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -54.4 -33.9 78.83 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.734 1.623 . . . . 0.0 111.224 -174.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -92.66 9.45 34.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.152 -170.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.23 157.59 36.73 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.209 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -55.99 -31.35 81.86 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.654 1.569 . . . . 0.0 111.237 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.4 p -99.2 19.84 14.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 -176.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.9 141.95 48.3 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -153.52 104.09 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.219 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.9 m -60.11 -42.16 94.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.215 -173.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.27 -51.42 70.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.277 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.08 -33.16 71.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -62.84 -40.32 97.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 176.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.92 -42.92 99.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.269 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.61 -46.26 89.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 -177.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.0 pt -74.13 -24.53 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.251 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.5 m -71.04 -38.99 72.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 175.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -63.35 -43.89 96.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 170.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.64 86.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.0 -56.29 23.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -55.79 -49.87 72.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.189 -176.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.82 -40.94 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.274 -177.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.6 mt -88.17 -5.65 58.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.258 -177.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -82.68 -58.95 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 172.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -61.43 117.24 25.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -52.2 -36.6 67.65 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.668 1.579 . . . . 0.0 111.231 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -68.7 -44.44 73.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.46 -35.36 68.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.7 ttp-105 -64.83 -44.22 90.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.195 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -62.32 -44.29 96.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.93 -42.99 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.272 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -62.11 -51.18 68.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.82 -36.13 80.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 -176.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -87.19 -67.82 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.244 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -80.33 -51.29 9.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -168.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.8 -172.3 22.9 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.48 -47.73 62.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 111.252 -172.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -56.24 -41.96 76.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.279 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.74 -42.26 91.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.19 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.248 -178.735 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.814 0.34 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -51.42 46.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.205 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -119.26 145.06 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.235 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.5 p -116.49 8.38 13.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.225 -176.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.8 -49.04 74.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -174.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.86 -30.48 64.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.277 -175.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -71.79 -32.97 68.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.233 177.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.1 -36.4 72.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.73 -42.82 99.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.198 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.9 mt -79.04 -29.61 43.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.227 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.42 43.43 9.4 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -141.95 142.4 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.762 0.315 . . . . 0.0 111.243 -174.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.433 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 31.2 t -62.49 138.68 96.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 -176.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 76.9 Cg_exo -55.0 -27.14 53.0 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.644 1.562 . . . . 0.0 111.233 175.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.0 p -70.74 -16.28 62.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -176.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.99 144.91 53.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -85.59 174.81 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 177.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -58.27 -32.45 68.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 -171.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -68.82 -44.5 73.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -73.89 -31.18 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.235 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.1 mt -65.67 -37.1 85.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.14 -44.6 94.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.26 172.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.07 -41.02 82.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.236 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.94 -44.96 95.79 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -60.22 -47.37 86.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 111.217 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -56.78 -41.98 78.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.184 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.54 -46.27 80.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.158 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.97 -34.6 78.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.37 96.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.0 mt -70.42 -41.45 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 174.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -58.26 -41.96 85.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.224 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -110.67 30.38 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 42.7 t-80 -56.98 123.82 61.67 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.235 -176.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 89.9 Cg_exo -56.52 -34.49 95.17 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.715 1.61 . . . . 0.0 111.221 -172.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -88.68 2.22 53.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 -169.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -103.08 147.2 33.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.091 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.33 -14.22 25.43 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.693 1.596 . . . . 0.0 111.242 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.2 p -107.6 12.11 27.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.202 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.4 -164.23 35.9 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -160.67 106.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 111.098 -178.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.9 m -63.48 -43.26 97.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.219 -174.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.43 -47.97 83.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -66.8 -36.83 83.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -56.22 -43.01 78.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 175.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.47 -39.46 94.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 176.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.67 -44.79 89.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.5 pt -75.39 -23.01 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.3 m -71.18 -39.48 71.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 174.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.36 -48.1 82.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 169.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.87 -45.44 74.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.188 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' ASN . 54.7 t80 -60.01 -55.24 36.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 178.58 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -51.82 -47.66 64.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.23 -176.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.4 mt -67.15 -42.77 88.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -87.88 -6.07 58.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -174.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.9 t30 -80.85 -57.33 3.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.253 174.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -65.66 116.11 28.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 174.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -52.09 -35.96 64.02 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.737 1.624 . . . . 0.0 111.238 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -68.05 -46.07 72.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -67.93 -35.48 78.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.185 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.4 ttp85 -61.37 -45.18 95.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.209 176.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -62.57 -37.36 85.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.247 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.79 -45.79 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 175.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -65.78 -54.29 29.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -57.5 -39.0 75.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.238 -176.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -84.26 -54.75 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.197 -175.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -100.44 -43.14 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.216 -167.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.02 -178.15 17.24 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.9 -44.61 95.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.784 0.326 . . . . 0.0 111.22 -174.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -50.59 -45.85 57.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.267 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.03 87.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 177.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.238 179.112 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.876 0.37 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -77.99 -39.84 41.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.259 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -122.51 141.83 51.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.232 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.8 p -121.07 11.25 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.195 -179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -56.28 -48.12 77.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.188 -174.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.47 -32.45 68.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.163 -176.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -68.86 -34.45 75.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.196 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.61 -35.93 73.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.188 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.3 mt -61.41 -41.21 96.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 175.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.7 mt -79.61 -27.94 41.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.211 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.5 42.26 10.46 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.9 p -144.4 138.92 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.741 0.305 . . . . 0.0 111.258 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.2 t -64.22 143.88 98.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.83 -10.4 26.28 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.725 1.617 . . . . 0.0 111.177 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.9 p -77.43 -11.82 59.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.246 173.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.45 151.83 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.268 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -83.23 179.2 7.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.193 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.9 -40.9 98.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 -169.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -67.27 -39.74 86.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.33 -36.08 78.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.61 -39.79 95.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 175.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.05 -43.84 97.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.32 -38.41 80.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.2 -46.15 93.16 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 174.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -60.75 -46.34 90.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 111.206 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.55 -42.08 77.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.75 -46.3 79.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.229 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.9 -35.83 81.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.5 97.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.01 -40.62 91.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 173.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.28 -44.62 84.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -107.59 23.97 13.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.238 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -65.61 132.7 95.03 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -176.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -54.3 -33.95 78.11 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.722 1.615 . . . . 0.0 111.216 -174.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -92.48 9.62 33.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.226 -170.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.05 157.28 37.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.178 176.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -55.85 -31.63 81.81 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.654 1.569 . . . . 0.0 111.248 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.3 p -99.19 20.17 13.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.226 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.98 142.43 48.49 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -153.28 103.66 2.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.767 0.318 . . . . 0.0 111.234 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.5 m -59.78 -42.15 92.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 -173.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.31 -51.96 67.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.227 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.97 -33.89 72.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.188 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -62.44 -40.69 97.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.126 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.98 -43.13 99.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 175.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.62 -46.68 88.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.204 -177.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 pt -73.66 -25.11 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.0 m -70.98 -40.11 72.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.182 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -62.36 -47.32 84.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.26 170.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.78 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' ASN . 67.2 t80 -59.61 -53.48 57.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -52.88 -48.34 67.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.215 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.93 -42.22 88.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -86.54 -7.0 58.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 -174.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.9 t30 -81.51 -57.94 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 173.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -64.19 116.78 30.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 175.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -52.41 -36.18 68.35 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.666 1.578 . . . . 0.0 111.128 -177.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -68.8 -43.4 75.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.04 -36.56 69.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.181 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.8 ttp-105 -63.97 -44.02 94.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.216 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -57.48 -50.34 73.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.212 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.27 -41.08 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -59.75 -55.52 33.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.203 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -71.1 -28.98 64.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 -175.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -80.9 -39.81 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 -176.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -120.15 -48.62 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.188 -170.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 140.2 -178.8 19.6 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.5 tp -62.68 -49.99 72.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 111.233 -175.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -61.59 -32.23 72.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -176.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.33 84.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.241 172.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.224 177.379 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.834 0.349 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -68.63 -59.19 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -109.27 146.63 33.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.282 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.1 p -115.23 5.18 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.162 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.38 -50.73 61.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.22 -173.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.7 mt -72.24 -32.68 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 -175.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -69.24 -33.58 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.19 175.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -74.38 -34.59 63.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.217 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.23 -41.57 98.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 174.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.2 mt -78.78 -29.51 45.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 178.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.68 43.17 9.32 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 p -140.71 142.88 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 111.193 -174.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -61.76 142.78 94.55 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -70.78 -12.91 31.64 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.728 1.619 . . . . 0.0 111.166 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.0 p -78.4 -11.62 59.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.5 147.43 46.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.271 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -87.17 174.92 8.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -58.21 -32.64 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 -171.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.14 -44.55 75.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.175 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -74.41 -31.07 62.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.0 mt -65.57 -36.86 85.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 175.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.13 -44.4 94.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.218 172.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.3 -40.33 81.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.207 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.94 -44.87 95.85 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.58 -46.3 90.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 111.135 177.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -56.52 -42.43 78.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.38 -45.8 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.11 85.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.0 95.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.264 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.23 -41.29 90.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.249 174.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -57.5 -45.74 84.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -104.46 22.65 14.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.8 t-80 -65.59 133.38 95.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 -176.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 80.4 Cg_exo -54.32 -33.62 76.89 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.714 1.61 . . . . 0.0 111.149 -174.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -93.08 12.11 25.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.181 -171.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.41 156.5 41.15 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -55.96 -31.78 83.24 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 121.698 1.599 . . . . 0.0 111.122 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.5 p -99.43 21.4 12.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.152 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.23 142.48 47.71 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -152.07 100.69 2.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 111.163 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.9 m -59.88 -42.24 93.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.237 -173.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.6 -52.19 66.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -69.67 -33.18 72.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -60.46 -40.05 89.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.17 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.17 -39.23 78.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.242 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.79 -43.81 97.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.9 pt -74.47 -24.82 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 61.8 m -70.09 -40.14 75.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.96 -47.89 81.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 170.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.8 -45.64 70.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ASN . 57.5 t80 -59.63 -55.3 36.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 178.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -52.38 -48.0 65.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -176.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.27 -42.76 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.268 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -87.48 -6.37 58.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.237 -174.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.0 t30 -80.76 -56.68 3.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 174.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -66.76 116.09 31.38 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 174.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -52.44 -35.3 65.13 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.715 1.61 . . . . 0.0 111.213 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -70.47 -43.69 69.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.154 -177.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.4 -38.52 81.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.208 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -62.03 -44.94 95.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -54.34 -46.86 73.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.18 -45.58 92.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -62.46 -50.34 71.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.187 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -60.55 -37.38 81.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 -175.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -87.16 -38.84 16.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 -173.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -117.09 -45.17 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -167.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.68 -177.12 16.93 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 174.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.4 tp -64.25 -45.03 89.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.868 0.366 . . . . 0.0 111.211 -174.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.35 -47.5 47.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.257 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.37 89.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 178.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.266 179.608 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.743 0.306 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.54 -61.09 1.9 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.211 -176.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -110.28 148.1 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.201 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.9 p -118.06 4.85 12.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.23 -51.6 57.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.258 -172.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.9 mt -71.48 -33.35 69.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -175.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -68.19 -34.33 76.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.134 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -73.95 -34.57 64.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.37 -40.95 98.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 175.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.1 mt -79.92 -29.15 39.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.208 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.61 43.34 9.28 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.1 p -141.58 142.04 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.908 0.385 . . . . 0.0 111.1 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.5 t -61.98 142.69 95.15 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.32 -11.16 26.5 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.731 1.621 . . . . 0.0 111.254 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.1 p -76.44 -12.19 60.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.209 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.87 147.17 45.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.185 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -85.97 176.01 8.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -58.97 -32.79 69.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 -172.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -68.31 -44.11 76.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.205 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -74.44 -31.19 62.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.203 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.23 -36.96 85.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.22 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.57 -44.82 93.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.255 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.19 -39.39 78.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.266 176.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.57 -44.74 95.35 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 175.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -61.88 -45.11 95.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 111.226 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.33 -42.18 77.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.06 -46.33 74.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.254 177.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.46 80.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.236 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.26 96.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.87 -40.66 91.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.282 173.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.28 -44.88 84.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -107.51 25.1 11.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.202 -177.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -66.12 133.04 94.62 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.24 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -54.09 -33.88 75.66 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.706 1.604 . . . . 0.0 111.231 -174.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -92.76 11.26 27.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.255 -171.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -110.85 156.75 40.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 176.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -55.89 -31.63 82.15 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.633 1.556 . . . . 0.0 111.24 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.3 p -99.42 19.53 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.2 -176.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.28 142.5 48.41 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -154.28 104.63 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.249 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.8 m -60.55 -43.11 97.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -173.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -58.15 -50.74 72.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.228 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.95 -31.66 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -62.78 -40.18 96.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.269 176.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.85 -38.89 90.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.197 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.51 -46.09 91.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.0 pt -74.53 -23.42 18.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.1 m -71.42 -39.16 71.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 176.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -64.81 -42.95 94.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.2 170.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.23 -45.04 84.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.208 175.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' A' ' 56' ' ' ASN . 52.6 t80 -59.99 -59.17 5.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.214 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -53.56 -46.91 70.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -175.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 90.8 mt -67.69 -41.17 85.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -177.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.3 mt -88.58 -7.96 55.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.217 -176.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.1 t30 -80.5 -56.11 4.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.271 175.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.4 120.31 57.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.169 174.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -54.56 -40.25 84.7 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.735 1.623 . . . . 0.0 111.234 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -70.11 -43.4 71.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.255 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.07 -39.33 93.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -62.83 -45.55 92.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 177.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.61 -47.68 81.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.165 175.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.8 mt -58.98 -41.8 84.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -60.85 -50.76 72.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.52 -35.64 78.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 -177.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -85.26 -41.24 15.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.226 -174.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -117.75 -44.92 2.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.222 -166.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 126.81 -172.25 18.4 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 173.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.02 -51.78 68.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 111.257 -172.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.48 -48.54 56.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -172.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.62 -47.99 73.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -177.141 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.807 0.336 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.9 t -109.85 112.18 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -82.68 -81.78 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -78.97 142.47 36.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.3 p -118.57 6.2 11.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.21 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -51.03 -52.72 40.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.117 -173.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.6 mt -69.12 -34.22 74.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.129 -174.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.03 -33.96 74.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.191 176.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -73.48 -34.21 65.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.255 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.01 -42.07 98.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 174.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.59 -29.46 46.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.197 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.6 43.06 9.48 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 p -142.42 142.27 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 111.104 -174.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.7 t -60.65 142.22 91.72 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.82 -10.82 25.32 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.759 1.639 . . . . 0.0 111.175 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.8 p -74.88 -13.47 60.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.247 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.81 145.85 48.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -85.27 176.96 8.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.233 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -58.69 -33.81 70.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 -171.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -68.78 -43.87 74.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -74.12 -31.46 62.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.96 -37.26 87.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.204 174.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.8 -44.39 93.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.184 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.26 -40.49 81.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.244 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.25 -44.71 96.28 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -60.2 -46.74 88.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.784 0.326 . . . . 0.0 111.183 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.3 -41.6 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.53 -47.07 77.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.19 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.46 -34.92 79.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.201 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.48 -40.35 96.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.192 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.8 -40.83 92.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 173.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.33 -44.68 84.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -107.81 25.04 12.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.181 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.5 132.43 95.07 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 -176.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -54.46 -33.9 79.45 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.674 1.582 . . . . 0.0 111.266 -174.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -92.44 9.41 34.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.276 -170.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.09 157.52 36.82 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -55.87 -31.67 82.11 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.765 1.643 . . . . 0.0 111.212 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.3 p -99.18 20.01 14.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.231 -176.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.14 142.35 48.42 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -153.37 104.02 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.786 0.327 . . . . 0.0 111.18 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.8 m -60.14 -42.0 93.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.212 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.3 -51.53 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.08 -33.71 72.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.54 -40.41 96.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.93 -43.25 99.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.227 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.58 -46.69 88.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.213 -178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.4 pt -74.03 -25.05 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.19 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.3 m -71.05 -38.56 72.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 175.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.59 -45.63 89.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.05 -43.41 86.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.419 ' O ' ' N ' ' A' ' 56' ' ' ASN . 44.6 t80 -59.97 -58.33 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -57.91 -44.36 86.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.18 -42.22 93.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.252 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.9 mt -87.11 -10.48 52.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.182 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 52' ' ' PHE . 50.8 t30 -73.81 -49.79 23.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.252 174.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -67.25 115.35 25.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 172.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -52.94 -35.71 72.23 Favored 'Trans proline' 0 C--N 1.328 -0.531 0 C-N-CA 121.683 1.588 . . . . 0.0 111.241 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -69.13 -44.73 71.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -177.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -70.88 -35.24 72.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.271 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -62.66 -46.34 88.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.261 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -58.12 -48.24 80.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.8 mt -59.39 -41.64 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -59.64 -50.75 72.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.03 -39.25 89.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.275 -177.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -84.55 -37.04 21.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.244 -171.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -119.74 -46.24 2.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.174 -168.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.38 -173.19 18.63 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.78 -46.73 88.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 111.183 -172.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -50.1 -52.35 35.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.191 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.9 -39.33 90.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.247 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.26 -38.21 88.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -70.16 -39.02 75.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.4 p -74.94 -24.04 58.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.14 24.86 42.49 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 161.69 149.55 5.67 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.92 -20.03 22.71 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.699 1.599 . . . . 0.0 111.18 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.2 p -88.1 160.64 17.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.209 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -133.38 151.11 51.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.11 -174.42 42.37 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo . . . . . 0 C--O 1.199 -1.451 0 C-N-CA 121.722 1.614 . . . . 0.0 111.173 179.404 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 120.816 0.341 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t -110.88 101.59 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.2 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -70.38 -59.75 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.23 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -111.32 146.21 37.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.2 p -120.45 9.24 10.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 -177.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -55.19 -51.17 67.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.43 -33.64 74.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -66.57 -36.77 83.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.222 176.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.37 -34.22 72.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.214 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.02 -38.31 88.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.19 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -84.37 -23.97 29.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.72 43.67 8.94 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -145.98 143.52 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 111.185 -176.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.456 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 31.0 t -59.7 138.91 89.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 -177.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 67.3 Cg_exo -55.32 -28.68 63.98 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.775 1.65 . . . . 0.0 111.133 176.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.1 p -77.55 -10.6 59.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 -174.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.04 158.95 32.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -84.53 -176.68 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.251 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 22' ' ' LEU . 59.6 mp0 -72.34 -23.53 61.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.211 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -64.16 -40.54 96.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -74.2 -31.65 62.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 19' ' ' GLU . 80.3 mt -61.37 -39.92 92.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 172.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.93 -43.48 95.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.198 174.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.6 -45.34 94.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.25 177.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.8 -44.53 96.94 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -63.21 -46.03 88.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 111.199 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -58.67 -43.74 90.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.03 -46.62 77.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.223 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.24 -35.73 80.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.216 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.38 96.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.36 -41.22 89.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.211 174.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.98 -43.85 86.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -106.58 23.1 14.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.7 t-80 -64.62 132.07 95.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.237 -176.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 79.9 Cg_exo -54.48 -34.0 80.05 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.649 1.566 . . . . 0.0 111.186 -174.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -92.32 9.07 35.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 -170.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -108.86 157.48 36.72 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.189 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -55.82 -31.37 80.54 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.644 1.563 . . . . 0.0 111.175 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.4 p -99.23 19.69 14.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -176.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.07 141.2 47.79 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -153.36 103.3 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 0.0 111.194 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.0 m -60.42 -41.97 95.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.211 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.87 -51.71 68.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.04 -33.23 71.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.53 -40.04 95.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.215 175.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.43 -42.84 98.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -59.27 -46.45 88.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 -177.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.2 pt -73.21 -25.11 21.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.207 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.9 m -71.56 -38.84 70.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.243 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.63 -44.16 94.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.267 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.06 84.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -60.19 -54.81 41.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -56.56 -49.47 74.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.38 -41.87 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.1 mt -85.43 -15.88 41.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 -174.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -74.17 -52.34 12.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -67.69 116.42 37.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -52.53 -36.55 71.12 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 121.719 1.612 . . . . 0.0 111.235 -178.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -69.32 -43.84 72.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.256 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.12 -35.77 71.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.226 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -63.34 -43.97 96.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -58.53 -50.56 73.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.8 mt -58.51 -41.32 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -60.06 -54.9 40.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -72.09 -25.92 61.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -175.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -82.57 -41.3 19.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -119.23 -45.74 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.245 -170.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.29 179.41 16.42 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.31 -43.62 96.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.771 0.319 . . . . 0.0 111.139 -176.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -48.35 -51.26 27.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.247 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.2 -41.25 90.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.229 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.32 78.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -69.49 -37.1 77.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.224 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.1 p -69.91 -28.56 65.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.214 175.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.03 7.3 70.55 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -139.02 154.79 23.5 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -56.42 143.97 85.09 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.644 1.563 . . . . 0.0 111.257 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.3 t -75.53 135.8 40.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 176.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -126.41 70.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.94 -178.81 46.91 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo . . . . . 0 C--O 1.201 -1.351 0 C-N-CA 121.774 1.649 . . . . 0.0 111.226 -178.062 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.782 0.325 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.1 t -110.53 105.17 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.233 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -72.61 -61.03 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -109.69 148.19 31.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.21 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.1 p -121.09 10.6 10.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.68 -51.89 67.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.218 -175.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.48 -33.23 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.185 -175.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -68.17 -35.73 78.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -70.45 -35.99 73.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.54 -41.05 96.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.203 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.7 mt -80.06 -28.76 39.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.35 42.72 9.08 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p -141.28 142.76 28.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.351 . . . . 0.0 111.115 -174.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.445 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 29.9 t -60.32 138.58 91.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 -178.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 54.1 Cg_exo -56.25 -25.95 58.71 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.731 1.621 . . . . 0.0 111.22 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.3 p -77.19 -10.05 59.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.05 144.73 55.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.8 p30 -83.51 -179.78 7.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.282 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.42 -47.06 76.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.146 -172.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -65.34 -40.85 94.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -71.13 -33.36 70.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.59 -38.67 91.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.26 174.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.61 -43.26 99.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.45 -40.94 79.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.24 -45.55 93.98 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -61.8 -45.41 93.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.213 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.62 -42.62 79.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.65 -46.58 75.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.191 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.21 -35.65 81.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.45 97.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.187 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.9 -40.84 91.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.228 173.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.45 -44.69 84.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -107.91 25.18 11.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -65.24 132.35 95.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 -176.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -54.51 -33.95 80.2 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.716 1.611 . . . . 0.0 111.189 -174.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -92.56 9.57 34.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 -170.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.51 157.59 36.97 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.186 176.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -56.04 -31.41 82.48 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.551 1.501 . . . . 0.0 111.25 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.8 p -99.14 19.91 14.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.11 142.24 48.4 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -153.46 103.94 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 0.0 111.19 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.7 m -60.12 -42.21 94.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -173.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.25 -51.49 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.239 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.01 -33.21 71.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -63.01 -40.21 97.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.74 -43.2 99.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 175.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.34 -46.36 88.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 pt -74.27 -24.63 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.2 m -71.16 -39.21 72.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 175.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -64.13 -44.15 93.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.216 170.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.28 -46.07 83.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 56' ' ' ASN . 61.5 t80 -60.04 -56.74 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -54.31 -47.37 72.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.217 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.1 mt -66.73 -41.09 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.4 mt -87.29 -7.22 58.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -176.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' PHE . 40.1 t30 -81.19 -58.3 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 175.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -63.08 117.19 30.7 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 175.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -52.27 -35.92 65.75 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.711 1.607 . . . . 0.0 111.136 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -68.76 -43.93 74.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.274 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.38 -37.61 71.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.244 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.0 ttp-105 -64.0 -44.45 92.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.179 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.02 -48.47 78.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.7 -43.13 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.275 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -60.16 -50.42 73.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.238 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.87 -36.74 84.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -85.21 -40.23 16.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.214 -173.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -117.01 -45.31 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 -167.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.02 -177.78 17.19 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.88 -48.76 75.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 111.182 -174.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.56 -47.61 57.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.26 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.66 96.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.261 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.64 82.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.248 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -68.31 -40.23 81.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.252 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 91.7 p -80.52 -24.73 39.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.7 -17.09 20.89 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.98 -115.9 7.99 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -52.91 -29.93 45.79 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.751 1.634 . . . . 0.0 111.166 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.506 ' OG ' ' N ' ' A' ' 79' ' ' PHE . 94.5 p -78.59 -95.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.506 ' N ' ' OG ' ' A' ' 78' ' ' SER . 95.9 m-85 -102.55 21.7 14.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 -173.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -99.29 -154.2 28.26 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo . . . . . 0 C--O 1.199 -1.426 0 C-N-CA 121.671 1.58 . . . . 0.0 111.245 179.805 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 2' ' ' VAL . 98.9 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.799 0.333 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.463 ' N ' ' OG ' ' A' ' 1' ' ' SER . 35.1 m -127.53 162.46 32.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 -178.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -69.22 -59.7 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 178.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -108.38 145.7 34.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.238 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.8 p -117.41 8.2 12.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.39 -49.34 72.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -174.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.8 mt -72.48 -31.14 65.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 -175.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -70.69 -33.23 70.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 176.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -71.24 -36.4 71.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 177.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.52 -42.74 99.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.283 176.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -77.98 -29.51 49.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.21 42.54 10.52 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.9 p -141.11 141.7 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.714 0.292 . . . . 0.0 111.259 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.6 t -63.75 143.66 98.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.26 -13.65 36.31 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 121.662 1.575 . . . . 0.0 111.282 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.2 p -79.49 -9.98 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.261 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.85 147.75 49.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.207 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -83.45 -178.14 6.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.0 -44.69 94.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.289 -170.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -68.46 -39.72 81.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -67.37 -36.72 81.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.72 -40.03 95.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.253 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.08 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.189 175.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.32 -39.51 83.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.221 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.36 -45.83 93.78 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -60.42 -46.9 88.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.681 0.277 . . . . 0.0 111.136 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -57.46 -41.95 81.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -177.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.16 -46.39 81.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.23 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.95 -36.09 82.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.201 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.03 96.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.264 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.82 -41.33 91.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 174.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -57.26 -45.37 84.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -104.65 21.67 16.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.23 -176.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.35 132.77 95.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -54.53 -33.83 79.85 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.662 1.575 . . . . 0.0 111.227 -174.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -92.03 9.56 32.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.253 -170.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.17 157.11 38.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.218 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -55.96 -31.5 82.14 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.806 1.671 . . . . 0.0 111.215 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.8 p -99.4 20.62 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.263 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.71 141.26 47.62 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -153.04 102.67 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 111.174 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.4 m -60.3 -41.84 94.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.177 -173.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.91 -52.16 66.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.198 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.0 -33.83 72.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.28 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -62.16 -40.42 95.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.43 -42.85 98.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 176.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.07 -45.58 92.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.251 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.4 pt -73.85 -25.49 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.5 m -71.42 -39.19 71.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 175.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.82 -48.99 79.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.169 170.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.43 -45.73 80.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.266 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ASN . 65.9 t80 -59.89 -54.18 49.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.21 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -51.62 -48.06 63.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.249 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.7 mt -67.19 -43.03 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.4 mt -86.52 -7.2 58.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 -174.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.7 t30 -81.71 -57.49 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 174.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -63.9 116.58 28.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -52.11 -36.73 67.23 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 121.676 1.584 . . . . 0.0 111.185 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -68.56 -47.02 67.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.27 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.89 -37.9 82.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.5 ttp85 -60.68 -48.12 83.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.157 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.26 -40.32 93.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.0 mt -61.15 -44.57 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -62.51 -50.06 72.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.214 175.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -61.53 -35.86 78.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -175.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -87.68 -41.21 13.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.189 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -115.2 -47.29 2.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.226 -166.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.9 -175.53 19.07 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.7 tp -64.92 -48.79 72.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 111.121 -172.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.8 -47.08 51.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.245 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.56 92.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.251 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.57 86.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.21 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.5 -35.25 75.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.0 p -79.81 -24.94 41.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.7 31.82 48.27 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -145.51 -154.36 6.13 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -176.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -81.29 179.72 5.65 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.745 1.63 . . . . 0.0 111.204 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.4 p -73.22 168.2 19.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -127.89 151.16 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 -176.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.52 -162.44 33.95 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo . . . . . 0 C--O 1.201 -1.372 0 C-N-CA 121.703 1.602 . . . . 0.0 111.132 179.389 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.471 ' OG ' ' N ' ' A' ' 2' ' ' VAL . 98.1 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.849 0.356 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.471 ' N ' ' OG ' ' A' ' 1' ' ' SER . 32.1 m -126.99 161.41 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -178.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.64 -49.34 66.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -121.49 145.28 48.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.2 p -113.91 2.99 15.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -51.64 -50.55 60.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -173.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.8 mt -73.9 -31.97 63.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.289 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -68.5 -33.94 75.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.214 174.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -73.6 -34.64 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.95 -41.76 98.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.222 175.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.428 ' HB2' HG12 ' A' ' 13' ' ' VAL . 80.0 mt -79.38 -29.35 42.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.51 42.85 9.79 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.428 HG12 ' HB2' ' A' ' 11' ' ' LEU . 9.3 p -140.15 142.18 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 111.197 -174.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.417 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 29.6 t -62.43 138.28 96.38 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 -176.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 73.2 Cg_exo -54.85 -27.65 54.2 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.764 1.643 . . . . 0.0 111.23 175.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.0 p -70.58 -16.51 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.32 143.85 55.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -84.59 175.97 8.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.212 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 -58.2 -33.34 69.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.194 -171.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.88 -44.37 73.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -74.27 -30.93 62.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.224 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.71 -37.11 85.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 175.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.53 -43.99 96.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.239 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.63 -40.52 83.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.49 -44.55 96.63 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 175.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -60.28 -47.29 86.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.271 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -56.34 -42.28 77.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.195 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.38 -52.03 66.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.21 -35.44 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.1 99.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.206 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.93 -40.24 87.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 174.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.55 -44.51 85.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -107.03 23.39 14.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.199 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.8 t-80 -65.77 133.16 94.97 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.231 -176.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 78.1 Cg_exo -54.12 -33.65 74.96 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.695 1.596 . . . . 0.0 111.181 -174.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -92.89 11.91 25.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -171.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -111.02 156.75 40.37 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.18 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -55.72 -31.97 82.21 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.724 1.616 . . . . 0.0 111.223 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.6 p -99.61 21.66 11.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.07 143.14 48.64 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -152.15 101.6 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.21 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.6 m -59.18 -41.91 89.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.215 -174.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.65 -51.84 68.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -70.47 -34.7 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -60.67 -40.44 92.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.83 -44.22 90.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.223 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.33 -45.09 94.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.7 pt -74.09 -25.2 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.252 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.7 m -71.78 -39.63 69.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.26 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.4 -45.07 89.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.237 171.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.18 81.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' ASN . 59.3 t80 -59.41 -53.52 57.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 178.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -49.45 -49.24 46.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.22 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 90.0 mt -66.74 -43.11 90.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.7 mt -87.43 -5.36 58.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.5 t30 -81.0 -57.29 3.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 174.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -65.44 116.49 31.67 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -51.63 -36.58 61.25 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.664 1.576 . . . . 0.0 111.208 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -68.4 -45.43 72.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 -178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.2 -37.43 80.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -60.39 -47.18 87.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.255 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.64 -40.6 95.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.261 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.1 -42.44 95.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 176.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -61.61 -49.45 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 175.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -63.21 -33.89 76.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 -175.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -90.71 -42.47 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -112.85 -46.11 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.254 -167.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.99 -177.61 18.32 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 173.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.477 ' C ' HD23 ' A' ' 69' ' ' LEU . 9.8 tt -58.43 -49.94 75.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 111.26 -174.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -55.04 -40.55 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.74 -45.36 78.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.256 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.79 -39.59 84.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.182 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.1 ttt-85 -70.51 -43.7 69.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.229 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.5 m -80.65 -30.54 36.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.88 41.4 7.65 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -154.34 132.64 3.59 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.58 -9.25 21.26 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.676 1.584 . . . . 0.0 111.256 -177.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 93.8 p -76.44 -8.41 57.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.257 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -101.88 167.73 9.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.186 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.42 170.75 26.91 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo . . . . . 0 C--O 1.199 -1.439 0 C-N-CA 121.727 1.618 . . . . 0.0 111.2 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.3 p . . . . . 0 CA--C 1.523 -0.092 0 CA-C-O 120.851 0.358 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 66.6 t -105.74 113.55 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -92.67 -60.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -96.03 142.5 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.219 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.8 p -123.89 10.58 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.226 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -54.6 -51.77 64.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.75 -34.22 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.262 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -69.84 -36.5 75.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.16 -36.41 74.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.07 -39.01 93.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.123 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 26' ' ' TYR . 87.4 mt -77.19 -30.6 54.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 176.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.12 42.16 9.7 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -143.3 140.75 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 111.182 -175.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -64.45 142.63 98.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.97 -9.91 24.1 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.733 1.622 . . . . 0.0 111.128 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.7 p -71.56 -16.62 62.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.275 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.1 148.09 42.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.7 p30 -84.82 174.64 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.3 mp0 -60.22 -31.83 70.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 -170.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -68.82 -42.69 76.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -74.29 -30.52 62.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.43 -35.59 80.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 175.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.91 -45.39 90.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 171.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.1 -39.94 83.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 176.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.31 -44.06 96.82 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.402 ' HA ' HD22 ' A' ' 11' ' ' LEU . 42.8 t80 -60.06 -46.41 89.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.763 0.316 . . . . 0.0 111.151 177.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -56.47 -42.22 77.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.56 -43.84 79.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.18 86.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.74 96.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.258 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.02 -40.88 82.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 173.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.88 -44.53 86.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.24 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -106.13 22.81 15.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 59.2 t-80 -65.69 133.69 95.16 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.179 -177.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 76.9 Cg_exo -54.02 -33.36 72.81 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.684 1.59 . . . . 0.0 111.172 -174.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -93.04 13.23 21.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 -171.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -112.01 156.12 42.31 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.196 176.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -55.89 -32.06 83.77 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.68 1.587 . . . . 0.0 111.176 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.5 p -99.37 21.64 11.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.53 143.87 48.72 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -151.18 97.42 2.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.761 0.315 . . . . 0.0 111.223 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.8 m -58.69 -41.35 86.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.244 -173.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.7 -55.37 35.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.11 -32.18 71.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -57.48 -40.33 78.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.233 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.85 -37.07 73.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 174.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.21 -41.94 93.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.1 pt -72.89 -25.19 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.4 m -69.68 -39.66 76.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.285 173.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.11 -47.7 83.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 169.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.69 -43.35 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 176.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -58.46 -55.95 28.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.106 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -52.77 -50.54 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.234 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.39 -44.76 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.245 -176.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.2 mt -89.01 -11.36 44.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.234 -171.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -77.13 -50.42 13.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.181 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -67.93 115.84 32.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.26 172.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -52.39 -36.59 69.74 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.744 1.629 . . . . 0.0 111.171 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -70.13 -47.7 60.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.63 -35.46 78.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -59.5 -46.61 88.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -64.72 -40.6 95.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.0 mt -59.11 -43.89 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.225 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -60.01 -50.56 73.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -70.81 -33.15 70.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.229 -173.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -84.59 -36.78 21.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 -175.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -118.97 -46.23 2.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.285 -170.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.18 177.94 15.15 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.8 -44.96 96.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.89 0.376 . . . . 0.0 111.187 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -48.83 -48.83 41.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.24 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.74 92.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.29 -37.19 77.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -178.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -73.19 -34.79 66.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.264 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 72.8 p -77.0 -20.35 56.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.247 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.64 -5.01 31.01 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.51 146.73 19.65 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -73.68 145.06 36.38 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.802 1.668 . . . . 0.0 111.206 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.9 t 59.36 -158.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.216 -177.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -85.22 77.82 9.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 -175.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.9 -154.21 26.48 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--O 1.199 -1.444 0 C-N-CA 121.718 1.612 . . . . 0.0 111.227 -178.25 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 CA--C 1.523 -0.087 0 CA-C-O 120.824 0.345 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.1 t -112.05 104.34 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.198 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.66 -60.75 2.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.253 -176.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -109.57 148.37 31.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.179 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.5 p -117.17 4.49 12.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.76 -52.1 57.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 -172.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.73 -33.91 74.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.195 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -68.59 -33.97 74.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.212 176.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -74.29 -33.79 63.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.74 -41.54 99.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.215 174.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.0 mt -77.67 -30.15 51.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.0 42.19 9.77 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -143.39 140.0 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.865 0.365 . . . . 0.0 111.237 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.7 t -63.61 143.33 97.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.95 -10.67 26.53 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.674 1.582 . . . . 0.0 111.169 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.9 p -76.84 -11.82 59.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 173.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.8 148.15 46.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -82.58 -178.62 7.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.61 -41.98 95.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -171.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.84 -40.27 83.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -71.43 -33.71 69.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.229 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.95 -39.63 94.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.56 -43.22 99.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 174.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -57.71 -41.28 81.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.79 -45.6 93.3 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -61.27 -47.43 86.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.757 0.313 . . . . 0.0 111.109 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -57.11 -42.0 80.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.88 -47.45 77.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.72 -33.97 75.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.139 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.96 97.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.185 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -72.52 -39.51 67.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.286 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.09 -42.31 85.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -110.07 21.09 17.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 -176.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.1 t-80 -51.4 133.93 33.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.249 -173.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 98.2 Cg_exo -54.7 -34.97 86.01 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 121.737 1.625 . . . . 0.0 111.214 -176.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -92.47 4.49 53.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.225 -173.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -82.75 130.54 57.8 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -52.34 -37.69 71.82 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.71 1.607 . . . . 0.0 111.194 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.0 p -115.18 36.53 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.17 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.39 -164.72 40.43 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -156.46 100.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 111.206 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.3 m -61.87 -42.25 98.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.16 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.97 -48.6 80.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.195 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -66.49 -36.43 82.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.197 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -57.01 -41.94 79.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.81 -39.45 93.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -63.82 -44.64 92.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.4 pt -75.01 -23.56 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.8 m -70.65 -38.86 73.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -63.16 -44.29 95.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.254 170.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.53 82.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.243 176.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.28 -56.12 25.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -54.45 -47.74 72.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.179 -176.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.0 mt -66.6 -41.97 89.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.226 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.6 mt -87.18 -8.95 56.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 -175.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -81.47 -57.93 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 174.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.0 121.25 60.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 175.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -54.02 -42.84 63.52 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.725 1.617 . . . . 0.0 111.167 -175.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -66.46 -50.31 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.205 -177.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.22 -39.9 92.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -60.44 -47.89 84.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -62.43 -39.5 93.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.25 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.91 -43.96 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.193 177.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.02 -50.62 71.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 175.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.02 -36.58 82.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -175.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -86.74 -39.91 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 -173.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -117.23 -45.75 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -167.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.12 -177.19 17.79 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.7 tp -63.66 -46.93 83.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.332 . . . . 0.0 111.182 -174.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.58 -47.45 49.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.242 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.17 -44.51 91.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.222 177.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.66 76.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -70.15 -38.51 75.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.177 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.7 p -75.3 -21.42 58.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.208 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.7 -4.11 32.42 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.57 -179.15 52.53 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -75.16 -17.92 18.82 Favored 'Trans proline' 0 C--N 1.327 -0.558 0 C-N-CA 121.667 1.578 . . . . 0.0 111.211 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.4 p -84.77 171.53 12.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -112.97 150.93 31.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.236 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.12 -162.33 34.42 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo . . . . . 0 C--O 1.2 -1.412 0 C-N-CA 121.65 1.567 . . . . 0.0 111.243 179.395 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.815 0.34 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.9 t -111.52 103.88 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.254 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -71.75 -59.22 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.249 -176.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -111.88 145.57 39.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.1 p -120.77 11.15 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -55.86 -53.07 61.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.52 -33.35 74.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 -175.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -68.75 -37.43 79.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.303 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.82 -36.94 73.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.9 -39.37 94.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 26' ' ' TYR . 86.9 mt -78.15 -31.01 49.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.183 177.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.14 42.78 8.5 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.6 p -141.39 142.62 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.354 . . . . 0.0 111.212 -175.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.416 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 30.1 t -60.99 137.99 94.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.231 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 56.9 Cg_exo -55.76 -26.73 58.21 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.653 1.569 . . . . 0.0 111.194 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.0 p -73.86 -13.37 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.97 144.85 55.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -84.09 175.68 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.191 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -59.38 -31.78 69.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 -171.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -69.43 -44.46 71.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.149 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -74.2 -30.9 62.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.453 HD13 ' HB3' ' A' ' 55' ' ' LEU . 94.3 mt -66.94 -35.94 81.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 175.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -59.29 -45.09 92.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 171.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.54 -39.25 79.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.51 -44.14 95.58 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.425 ' HA ' HD22 ' A' ' 11' ' ' LEU . 49.0 t80 -61.4 -45.33 94.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.795 0.331 . . . . 0.0 111.204 177.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -56.92 -42.98 80.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.69 -44.55 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.53 87.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.23 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.21 -40.95 95.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.77 -41.36 83.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.277 174.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -58.1 -45.52 87.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.167 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -104.38 22.2 15.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.201 -176.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 59.2 t-80 -65.53 133.64 95.31 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.221 -176.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 77.0 Cg_exo -54.18 -33.41 74.61 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.771 1.647 . . . . 0.0 111.105 -174.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -93.01 12.32 24.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.186 -171.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.14 156.1 41.53 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.209 176.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -55.59 -32.11 81.82 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.695 1.597 . . . . 0.0 111.21 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.8 p -99.3 21.92 11.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.02 143.37 48.63 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -150.93 97.1 2.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 111.23 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.5 m -58.99 -41.49 87.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.18 -173.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.23 -55.02 40.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.226 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.25 -32.03 70.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -58.48 -36.6 74.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.209 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -75.19 -36.38 61.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 174.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.56 -42.76 95.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 pt -72.04 -22.03 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.1 m -72.99 -37.68 66.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -65.59 -41.62 92.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 168.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.94 -45.59 78.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.256 175.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 56' ' ' ASN . 59.8 t80 -60.06 -58.08 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 178.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -53.84 -47.44 70.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.4 mt -66.16 -43.0 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.158 -178.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.453 ' HB3' HD13 ' A' ' 22' ' ' LEU . 96.7 mt -89.65 -8.89 51.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -173.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.7 t30 -78.23 -53.92 6.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.188 174.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -66.82 115.81 28.72 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 173.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -52.24 -35.8 65.0 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.698 1.599 . . . . 0.0 111.112 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -68.32 -46.84 69.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.123 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -68.31 -36.21 78.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.221 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -59.99 -46.26 90.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -63.37 -41.65 98.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.58 -41.84 89.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.28 -50.96 70.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.22 174.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.58 -34.64 78.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.254 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -87.64 -41.27 13.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.297 -174.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -118.21 -46.23 2.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 -165.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.69 -175.56 20.45 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 171.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.509 ' C ' HD23 ' A' ' 69' ' ' LEU . 8.0 tt -65.36 -54.49 28.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.8 0.333 . . . . 0.0 111.179 -171.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -59.78 -33.3 71.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.24 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.53 -40.46 97.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.229 173.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.69 78.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -65.14 -42.76 93.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.232 175.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.7 t -81.73 -72.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.07 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.62 -169.74 52.63 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.45 -111.38 3.3 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -56.73 143.98 88.29 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.701 1.601 . . . . 0.0 111.212 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.2 t -65.32 142.95 58.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.219 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -108.5 156.14 19.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -173.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.04 -161.67 36.28 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo . . . . . 0 C--O 1.2 -1.407 0 C-N-CA 121.691 1.594 . . . . 0.0 111.221 179.778 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.472 ' OG ' ' N ' ' A' ' 2' ' ' VAL . 93.6 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.704 0.287 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.472 ' N ' ' OG ' ' A' ' 1' ' ' SER . 61.9 t -112.1 99.89 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.226 -178.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -68.34 -62.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -109.04 145.5 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.194 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.4 p -118.97 7.11 11.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.231 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.58 -52.89 63.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.258 -174.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.47 -34.0 77.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.252 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -69.66 -36.0 75.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.179 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -71.77 -35.56 70.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.37 -38.82 92.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 26' ' ' TYR . 79.6 mt -83.67 -28.5 28.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 177.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.51 43.86 8.25 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p -142.26 140.98 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 111.214 -175.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.2 t -63.95 143.35 98.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.62 -12.23 28.9 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 121.616 1.544 . . . . 0.0 111.158 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.8 p -73.43 -15.21 61.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 174.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 21' ' ' GLU . . . -73.63 148.36 42.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.168 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.1 p30 -83.42 174.56 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.244 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.3 mp0 -60.16 -31.2 69.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.88 -44.27 73.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.218 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 80.0 mm-40 -73.65 -32.14 63.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 178.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.441 HD13 ' HB3' ' A' ' 55' ' ' LEU . 94.0 mt -65.79 -36.16 82.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 175.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.33 -44.87 95.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 172.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -57.67 -38.28 74.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.66 -44.82 93.86 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.412 ' HA ' HD22 ' A' ' 11' ' ' LEU . 64.2 t80 -62.71 -47.09 85.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.769 0.318 . . . . 0.0 111.252 177.018 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -52.44 -43.25 64.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.61 -54.39 32.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.153 175.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.94 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.0 98.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.265 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.68 -40.74 76.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.26 -43.88 88.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.255 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -107.72 16.83 23.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -51.98 137.01 36.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 -176.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -51.92 -35.23 59.36 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.621 1.547 . . . . 0.0 111.244 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -89.26 -8.07 54.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.28 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -68.25 124.43 89.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.23 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -52.85 -36.77 75.56 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.727 1.618 . . . . 0.0 111.152 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.0 p -113.11 35.32 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.233 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.29 -162.98 37.59 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -161.29 108.85 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 0.0 111.3 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.4 m -63.27 -44.21 95.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.218 -173.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.59 -47.49 85.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -66.65 -36.29 82.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.255 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -58.3 -41.34 84.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.11 -39.35 93.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.99 -44.49 92.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.239 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.5 pt -76.7 -19.65 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 57.7 m -72.85 -37.41 67.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 174.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -63.63 -41.85 98.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.266 168.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.22 -44.13 83.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 174.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -60.04 -59.99 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -54.69 -44.81 73.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 -176.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.3 -46.43 87.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.441 ' HB3' HD13 ' A' ' 22' ' ' LEU . 97.4 mt -88.8 -5.72 57.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.268 -172.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -80.59 -55.4 4.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.2 172.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -68.71 115.72 33.54 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.264 173.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -52.28 -35.67 64.95 Favored 'Trans proline' 0 C--N 1.328 -0.544 0 C-N-CA 121.661 1.574 . . . . 0.0 111.153 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -68.37 -45.67 72.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.224 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -70.0 -33.73 72.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.197 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.6 ttp85 -59.39 -45.98 89.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.17 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.77 -42.08 97.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.224 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.4 mt -60.29 -39.89 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.283 177.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -62.6 -50.25 72.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.54 -26.61 67.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 -175.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -96.13 -43.28 7.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 -174.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -111.12 -51.49 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.199 -168.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 139.24 -176.38 21.04 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 173.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.484 ' C ' HD23 ' A' ' 69' ' ' LEU . 8.3 tt -62.35 -53.96 47.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.803 0.335 . . . . 0.0 111.214 -170.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -54.36 -45.64 72.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -175.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.2 -37.91 87.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.32 -50.9 63.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.245 -177.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -77.77 -13.63 59.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.218 -175.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 86.2 p -78.54 -9.69 59.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 172.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.22 26.72 39.18 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -175.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.82 151.17 10.09 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -175.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.99 150.04 47.98 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.718 1.612 . . . . 0.0 111.232 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.9 t 52.11 -117.53 1.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -113.98 28.7 8.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.173 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 132.8 143.65 5.09 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo . . . . . 0 C--O 1.2 -1.395 0 C-N-CA 121.691 1.594 . . . . 0.0 111.177 -179.519 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.47 ' OG ' ' N ' ' A' ' 2' ' ' VAL . 99.1 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.754 0.312 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.47 ' N ' ' OG ' ' A' ' 1' ' ' SER . 35.3 m -127.44 162.3 33.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -69.26 -59.83 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -108.38 146.41 33.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.9 p -117.65 8.36 12.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.284 -177.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -55.84 -49.56 72.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.179 -174.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.5 mt -71.54 -31.63 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.227 -175.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -70.51 -33.42 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.243 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -71.93 -36.38 69.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 176.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.8 -41.59 97.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.193 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.3 mt -79.82 -29.45 40.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.229 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.89 42.49 11.04 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.0 p -139.69 142.03 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.873 0.368 . . . . 0.0 111.246 -174.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.0 t -64.03 144.13 98.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.223 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.13 -13.26 35.93 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.701 1.601 . . . . 0.0 111.195 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.7 p -78.4 -10.93 59.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.37 145.34 51.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -84.46 -178.59 6.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -55.17 -48.44 73.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.152 -173.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.08 -40.32 94.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.199 -175.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -70.94 -33.53 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.95 -39.45 94.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.171 173.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.09 -42.5 99.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.246 175.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.62 -40.35 78.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.262 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.1 -45.54 93.8 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 175.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -61.8 -45.01 95.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 111.24 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -58.09 -42.93 86.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.17 -44.9 82.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.09 77.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.203 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.82 82.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.73 -35.99 79.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 173.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.36 -41.71 93.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -124.19 59.89 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.458 ' HB3' ' HB2' ' A' ' 37' ' ' LYS . 55.2 t-80 -72.73 137.9 80.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 -178.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -52.28 -34.87 61.79 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.67 1.58 . . . . 0.0 111.249 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -96.11 9.01 42.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -175.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.458 ' HB2' ' HB3' ' A' ' 34' ' ' HIS . 85.1 tttt -83.26 124.65 75.86 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.57 -16.87 23.92 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.635 1.557 . . . . 0.0 111.187 -174.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.2 p -116.88 18.31 14.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.9 154.89 17.77 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -104.79 114.49 28.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 0.0 111.199 -178.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.4 m -57.45 -35.8 70.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.95 -33.26 75.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -72.17 -34.8 68.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.215 174.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -60.44 -40.93 92.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.245 171.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.82 -42.98 94.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.192 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.84 -47.7 83.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.8 pt -74.04 -23.77 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.259 -177.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.2 m -71.27 -39.33 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.24 175.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -63.73 -43.93 95.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.287 170.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.93 -45.63 86.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.62 -56.73 17.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -54.8 -49.51 70.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.225 -176.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.31 -42.01 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.254 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -86.93 -9.27 56.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.275 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -80.81 -55.57 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.23 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -63.61 116.48 26.51 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -51.98 -35.09 59.44 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.685 1.59 . . . . 0.0 111.208 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -67.84 -58.18 5.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.17 -35.96 78.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.234 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -60.01 -49.94 75.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.285 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -62.43 -39.27 92.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.2 -44.08 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.271 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -63.01 -50.7 69.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -61.23 -36.21 79.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 -175.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -87.43 -41.04 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -116.85 -45.43 2.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 -165.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.54 -175.46 18.98 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 173.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.4 tp -64.47 -46.27 83.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.766 0.317 . . . . 0.0 111.177 -172.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.55 -47.77 57.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.38 90.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.34 -37.33 86.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.107 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -69.74 -38.32 76.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.4 p -78.01 -23.65 48.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.22 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.15 33.43 40.45 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.27 -148.62 18.1 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -174.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -63.05 153.88 69.91 Favored 'Cis proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.681 -2.216 . . . . 0.0 111.148 -1.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.2 p -74.09 161.09 30.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.231 173.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -130.27 24.88 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.253 -175.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.9 -162.53 33.5 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo . . . . . 0 C--O 1.2 -1.405 0 C-N-CA 121.776 1.651 . . . . 0.0 111.213 179.381 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.758 0.313 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t -114.92 105.21 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -68.56 -58.06 4.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -117.55 147.38 42.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.3 p -122.84 10.55 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.236 -178.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.6 -50.24 72.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.222 -175.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.07 -33.17 74.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 -177.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -68.4 -36.39 79.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.285 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.41 -36.8 74.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.234 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.59 -40.18 96.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 176.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.5 mt -80.06 -28.79 39.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.44 43.13 8.09 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.7 p -144.68 135.47 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.221 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.4 t -69.66 142.43 91.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -69.47 -13.93 36.18 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 121.646 1.564 . . . . 0.0 111.186 176.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.5 p -78.0 -11.42 59.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.261 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.34 149.6 47.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -79.77 -179.53 6.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.161 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -61.35 -44.46 97.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 -169.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -68.07 -39.01 83.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.163 -177.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -69.89 -33.0 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.231 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.31 -41.38 96.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.271 173.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.09 -38.63 83.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.24 -41.57 93.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 174.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.93 -38.32 94.1 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -61.09 -44.7 96.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.821 0.344 . . . . 0.0 111.183 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -76.44 -37.31 57.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 -177.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -55.8 -55.58 30.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.81 99.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.249 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.55 85.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.9 mt -76.2 -35.28 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.02 -40.05 79.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.197 -176.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -116.7 26.28 9.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.218 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.9 t-80 -52.23 136.07 40.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 -175.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 99.7 Cg_exo -53.9 -35.68 80.79 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.723 1.615 . . . . 0.0 111.238 -177.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -92.54 6.25 47.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.276 -174.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -83.34 128.86 62.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -52.74 -37.87 76.46 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.586 1.524 . . . . 0.0 111.195 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.2 p -115.37 37.43 3.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.233 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.33 -161.66 37.62 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 176.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -159.98 108.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 111.165 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.8 m -64.27 -42.16 96.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -174.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.22 -40.56 94.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -70.39 -36.35 74.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.187 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.42 ' HA ' HG12 ' A' ' 48' ' ' ILE . 74.2 t80 -58.55 -41.59 85.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 176.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -63.9 -38.66 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.5 -45.37 91.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.227 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.42 HG12 ' HA ' ' A' ' 45' ' ' PHE . 44.3 pt -78.3 -18.45 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.206 -178.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.2 m -67.13 -41.02 86.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 172.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -65.3 -42.76 92.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 171.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.37 87.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 175.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.24 -60.26 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.22 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -55.37 -48.72 73.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.192 -175.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.71 -42.57 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -89.94 -8.07 52.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.283 -176.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -79.21 -53.4 7.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.177 172.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -64.97 116.69 31.99 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 174.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -52.21 -36.61 67.87 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.745 1.63 . . . . 0.0 111.192 -177.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -67.91 -51.1 51.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -66.73 -33.48 75.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -58.04 -48.95 78.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -68.96 -38.3 79.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.188 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.27 -40.07 84.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.172 176.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -61.71 -48.11 82.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.201 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -83.83 0.15 48.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.213 -171.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -119.46 -44.22 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -101.83 -45.77 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.283 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.57 177.37 14.85 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.01 -50.19 74.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 111.196 -177.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -47.6 -47.53 28.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.195 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.49 -56.2 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.77 -35.41 78.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.212 -174.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 69.0 ttt-85 -65.69 -40.99 92.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.3 p -74.83 -23.6 58.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.235 176.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.3 -18.3 8.88 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -176.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.82 -162.2 46.65 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 175.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -60.12 151.26 74.06 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.704 1.603 . . . . 0.0 111.189 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.8 p -67.38 -17.07 64.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.161 -178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -105.19 15.29 27.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.242 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 80.46 -158.11 41.15 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 C--O 1.2 -1.38 0 C-N-CA 121.708 1.605 . . . . 0.0 111.258 -178.033 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.718 0.294 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.32 107.21 22.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -73.67 -59.88 2.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -111.14 147.25 35.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.7 p -119.88 9.01 11.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.71 -51.54 68.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.231 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.9 -32.09 72.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.206 -176.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -69.38 -35.52 75.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.95 -35.33 74.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.02 -41.56 98.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.148 175.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.8 mt -78.56 -28.43 45.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.35 41.97 9.68 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -144.61 138.34 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.755 0.312 . . . . 0.0 111.219 -176.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.1 t -65.55 141.07 97.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.203 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.68 -11.57 26.12 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.722 1.614 . . . . 0.0 111.102 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.2 p -72.97 -17.15 61.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.268 175.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.73 157.91 24.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.168 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -81.52 179.13 7.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -69.06 -30.2 68.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -171.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -63.29 -39.87 95.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.71 -35.44 72.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.5 -38.19 90.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 177.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.6 -48.0 82.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -63.32 -34.11 76.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.225 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.98 -45.59 93.57 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.276 -0.729 . . . . 0.0 111.276 173.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.33 -46.3 90.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.135 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -55.96 -42.31 76.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.194 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.89 -45.89 76.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.252 177.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.64 81.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.11 96.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.26 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.99 -40.74 91.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 173.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.48 -44.71 85.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -107.29 24.45 12.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.286 -177.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.76 133.07 94.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.175 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -54.32 -33.67 77.09 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.629 1.553 . . . . 0.0 111.186 -174.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -92.97 11.89 25.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.268 -171.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -111.45 156.8 40.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.225 176.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -55.86 -31.76 82.4 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.757 1.638 . . . . 0.0 111.244 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.8 p -99.37 19.89 14.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.37 142.73 48.47 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -153.82 104.11 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 111.203 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.9 m -60.27 -43.06 96.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -173.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.16 -51.07 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.92 -32.14 70.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.61 -40.16 96.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.278 176.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.56 -38.89 88.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.44 -45.99 91.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 pt -74.44 -25.07 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.7 m -70.42 -39.92 74.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 175.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -62.52 -47.86 82.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.196 170.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.55 -45.58 73.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.269 177.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' ASN . 61.3 t80 -59.99 -54.97 39.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.148 177.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -52.03 -48.04 64.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.238 -177.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.4 mt -67.3 -43.71 87.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.144 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.9 mt -86.85 -6.9 58.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.208 -174.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.5 t30 -81.77 -57.16 3.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.278 173.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -63.81 116.69 28.72 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.232 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -51.79 -36.89 64.23 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.733 1.622 . . . . 0.0 111.152 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -68.26 -47.63 67.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.2 -37.33 80.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.228 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -60.02 -46.72 88.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -63.36 -40.44 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.312 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.17 -43.86 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.222 176.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -62.89 -50.88 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.196 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.23 -37.17 82.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.26 -176.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -85.81 -39.27 17.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 -173.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -118.24 -45.44 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 -167.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 126.68 -175.86 17.8 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 173.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.37 -44.5 96.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.776 0.322 . . . . 0.0 111.135 -173.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -49.45 -50.32 41.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.291 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.43 90.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.48 80.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -73.71 -35.24 65.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.188 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.4 p -80.01 -20.45 45.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.204 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.87 18.3 54.62 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.424 ' HA2' ' HD3' ' A' ' 77' ' ' PRO . . . 135.0 151.79 6.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.424 ' HD3' ' HA2' ' A' ' 76' ' ' GLY . 52.3 Cg_exo -57.84 147.27 82.11 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.73 1.62 . . . . 0.0 111.187 177.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 93.4 p -63.18 -26.75 68.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -116.39 30.12 7.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 174.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -99.15 -157.45 29.09 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo . . . . . 0 C--O 1.199 -1.429 0 C-N-CA 121.68 1.587 . . . . 0.0 111.13 179.852 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 2' ' ' VAL . 99.3 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.805 0.336 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.466 ' N ' ' OG ' ' A' ' 1' ' ' SER . 31.2 m -127.38 160.72 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -65.12 -56.62 11.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -112.85 145.97 39.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.207 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.6 p -116.44 5.74 13.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -54.92 -53.0 61.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.2 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.72 -31.92 71.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 -175.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -70.97 -34.11 71.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 177.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.31 -36.1 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 176.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.25 -41.38 98.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.228 176.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.2 mt -79.83 -28.99 40.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 178.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.14 43.27 9.83 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 p -141.37 142.91 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.346 . . . . 0.0 111.103 -173.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -62.42 143.21 96.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -70.89 -12.06 30.23 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.647 1.565 . . . . 0.0 111.194 178.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.7 p -76.32 -12.64 60.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.23 147.09 44.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.5 p30 -87.22 175.12 8.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 176.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -58.47 -32.54 68.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 -171.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.67 -44.16 74.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.197 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -73.82 -31.32 63.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.65 -36.63 84.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.67 -44.79 93.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 172.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.18 -40.25 81.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.85 -44.95 95.66 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.66 -46.29 90.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.737 0.303 . . . . 0.0 111.145 177.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -55.93 -41.95 75.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.213 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.28 -46.79 75.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.11 -35.05 79.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.234 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.04 95.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.227 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.71 -40.9 92.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 173.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.26 -44.97 84.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.218 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -107.71 25.22 11.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 -177.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.15 132.17 95.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -176.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -54.45 -33.93 79.5 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 C-N-CA 121.694 1.596 . . . . 0.0 111.19 -174.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -92.64 9.64 33.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 -170.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.51 157.61 36.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -55.84 -31.56 81.49 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.715 1.61 . . . . 0.0 111.178 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.8 p -98.9 19.38 15.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.232 -176.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.31 142.41 48.36 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -153.65 104.03 2.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.904 0.383 . . . . 0.0 111.273 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.0 m -60.0 -42.08 93.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.215 -173.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.39 -51.51 69.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.99 -33.08 71.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.151 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -63.0 -40.59 98.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.215 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.46 -43.31 99.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 175.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -59.35 -46.42 88.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.15 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.1 pt -74.3 -24.23 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.27 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.4 m -71.71 -38.75 70.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 175.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.74 -44.33 93.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.248 170.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.82 85.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 176.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' ASN . 48.5 t80 -59.85 -59.34 5.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 178.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -54.03 -49.45 68.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 -175.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.7 -41.43 92.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.225 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.5 -11.13 46.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -175.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.9 t30 -78.31 -53.28 7.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 176.165 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -65.68 115.87 26.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -52.38 -36.16 67.88 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 121.689 1.592 . . . . 0.0 111.28 -177.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -68.81 -46.61 68.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.75 -36.44 78.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -61.96 -47.18 86.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.237 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -61.97 -38.22 87.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.242 179.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.46 -48.96 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.19 174.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -59.63 -48.53 81.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -64.08 -32.55 74.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -104.66 -67.72 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -175.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -71.27 -39.94 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -170.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.68 175.66 14.27 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.31 -45.88 71.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.735 0.302 . . . . 0.0 111.227 -174.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -48.75 -48.33 40.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.61 -41.74 95.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.27 90.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.223 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -72.73 -36.08 67.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.22 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.9 p -75.82 -23.87 55.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.42 46.28 8.15 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.54 -172.62 35.53 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -177.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -58.26 139.0 88.88 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.704 1.603 . . . . 0.0 111.155 -178.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.3 t -68.13 141.68 56.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.219 177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -62.53 136.2 57.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.18 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.97 107.52 1.0 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 177.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo . . . . . 0 C--O 1.202 -1.287 0 C-N-CA 121.682 1.588 . . . . 0.0 111.26 179.161 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.801 0.334 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.8 103.32 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.3 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -72.01 -61.06 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -109.31 147.15 33.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.292 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.7 p -119.48 8.56 11.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.5 -51.12 69.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -174.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.26 -32.18 72.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.26 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -70.18 -34.49 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.37 -35.92 73.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 176.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.24 -41.59 98.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 176.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -78.55 -29.53 46.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.215 178.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.83 41.94 10.26 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.3 p -143.74 139.62 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 0.0 111.163 -176.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.2 t -64.05 143.93 98.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.3 -11.15 28.3 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.676 1.584 . . . . 0.0 111.22 178.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.3 p -76.46 -11.73 59.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.255 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.62 149.52 45.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -83.29 -178.6 7.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.72 -44.14 96.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -170.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -68.14 -39.32 82.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -67.98 -36.44 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.58 -39.86 95.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 174.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.67 -43.69 98.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 174.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.32 -38.87 81.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.222 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.21 -46.23 93.07 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -60.23 -46.28 90.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 111.216 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -57.16 -41.98 80.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.93 -45.5 81.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 177.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.48 -36.09 82.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.24 96.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.14 -40.73 90.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 173.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.36 -44.65 84.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.187 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -107.11 24.02 13.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.301 -177.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -65.8 132.91 94.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.239 -177.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -54.08 -33.96 75.9 Favored 'Trans proline' 0 C--N 1.328 -0.543 0 C-N-CA 121.672 1.581 . . . . 0.0 111.208 -174.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -92.35 9.95 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 -170.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.18 156.81 38.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 176.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -55.88 -31.73 82.44 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.755 1.637 . . . . 0.0 111.198 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.6 p -99.36 19.7 15.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -176.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.13 142.6 48.5 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -153.82 103.94 2.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.821 0.343 . . . . 0.0 111.147 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.5 m -59.97 -43.37 95.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -173.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.98 -51.09 71.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.298 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.96 -31.96 69.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -62.74 -39.99 95.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.74 -38.65 87.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.247 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.49 -46.04 91.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 pt -74.22 -25.32 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.5 m -70.51 -39.99 73.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.203 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.58 -47.54 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.259 170.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.09 -46.15 71.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.22 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.404 ' O ' ' N ' ' A' ' 56' ' ' ASN . 67.8 t80 -60.0 -54.12 49.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 177.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -52.13 -48.55 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.215 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.6 mt -66.36 -43.49 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -178.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.89 -6.91 58.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.195 -174.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.7 t30 -81.68 -56.7 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.225 173.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -64.36 116.29 26.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.162 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -52.04 -36.49 65.5 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.663 1.575 . . . . 0.0 111.196 -177.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -66.19 -53.37 38.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.79 -37.34 87.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.131 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.2 ttp85 -60.24 -48.06 83.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.184 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.83 -39.69 95.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 93.2 mt -60.81 -43.64 95.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.235 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.54 -51.14 68.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.195 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.57 -36.35 80.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 -175.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -86.46 -39.93 15.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -117.64 -46.39 2.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -166.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.18 -174.12 19.7 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 173.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.77 -44.46 89.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.18 -172.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -60.37 -34.83 74.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.034 -177.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.7 -41.08 72.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.194 174.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.15 89.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.192 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -72.33 -34.12 67.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.245 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.1 m -68.08 -35.93 78.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 175.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.2 29.77 10.94 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.3 178.31 44.12 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -57.66 142.56 95.84 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.722 1.615 . . . . 0.0 111.179 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.4 t 60.74 -157.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -90.98 139.04 31.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.3 -161.28 33.84 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo . . . . . 0 C--O 1.2 -1.382 0 C-N-CA 121.634 1.556 . . . . 0.0 111.19 179.449 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.697 0.284 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.8 t -113.24 100.54 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.55 -64.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -176.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -98.24 149.36 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.2 p -127.72 2.73 6.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.189 -176.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.9 -51.65 68.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.233 -173.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.98 -33.03 74.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -69.78 -36.42 75.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -71.11 -36.14 72.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.67 -39.03 92.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 26' ' ' TYR . 82.0 mt -80.96 -30.26 35.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.79 42.42 9.87 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.1 p -143.64 141.79 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 111.156 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p -72.07 154.54 92.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -175.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.22 -12.02 25.27 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.711 1.608 . . . . 0.0 111.235 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.7 p -74.77 -13.2 60.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 21' ' ' GLU . . . -71.47 143.82 49.9 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.177 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.4 p30 -84.75 -179.65 7.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.22 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -59.19 -35.48 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 -173.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -70.08 -43.18 71.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 80.8 mm-40 -72.96 -32.37 65.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.159 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.38 -38.53 91.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 173.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.67 -43.59 97.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.168 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -58.44 -40.93 83.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.88 -43.82 96.42 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 175.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.415 ' HA ' HD22 ' A' ' 11' ' ' LEU . 42.7 t80 -61.91 -45.73 92.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 111.22 177.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -57.97 -42.98 86.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.229 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -67.62 -44.74 77.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.16 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.36 -36.84 85.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.232 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.86 97.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.93 -40.95 83.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.15 -44.2 87.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -107.07 24.72 12.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.219 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 59.3 t-80 -66.0 133.94 94.9 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -177.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 79.2 Cg_exo -54.03 -33.46 73.32 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.72 1.614 . . . . 0.0 111.248 -174.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -93.16 13.01 22.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.266 -171.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.87 156.06 42.27 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.25 176.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -55.85 -31.96 83.09 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.669 1.579 . . . . 0.0 111.183 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.2 p -99.39 21.5 11.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.37 143.73 48.67 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -151.26 98.32 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 111.183 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.1 m -59.48 -41.98 91.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -172.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.59 -53.55 56.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.183 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -69.48 -31.92 70.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.257 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -58.55 -40.1 82.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.9 -37.51 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.216 174.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.3 -43.05 95.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.164 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.8 pt -73.17 -24.68 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.7 m -69.38 -39.27 78.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 172.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.58 -42.54 95.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.284 170.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.12 83.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 175.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.1 -56.97 15.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -56.05 -50.09 71.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.238 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 86.3 mt -63.29 -45.6 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.177 -175.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 99.1 mt -85.51 -24.0 27.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.219 -170.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -71.01 -46.35 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.241 175.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -66.87 115.61 26.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.248 174.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -52.18 -35.42 62.84 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.699 1.599 . . . . 0.0 111.206 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.06 -58.45 4.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.1 -32.8 74.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.186 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -59.95 -49.33 78.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 176.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.2 -39.09 93.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.174 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.97 -42.56 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.73 -49.99 70.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.01 -37.75 88.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -83.65 -56.85 3.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 -175.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -98.59 -40.33 8.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 -165.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.99 -169.03 19.75 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -67.6 -50.49 58.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 111.235 -170.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -61.65 -35.15 77.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.222 -173.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.93 -41.7 91.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.245 173.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.42 -35.08 79.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -66.5 -39.2 88.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 96.3 p -80.64 -24.36 39.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.252 176.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.69 36.42 29.37 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' A' ' 77' ' ' PRO . . . 102.3 -158.45 18.15 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -175.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.417 ' HA ' ' HA3' ' A' ' 76' ' ' GLY . 83.3 Cg_endo -73.42 -179.92 26.74 Favored 'Cis proline' 0 C--N 1.328 -0.512 0 C-N-CA 121.656 -2.227 . . . . 0.0 111.157 -0.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.4 t -59.88 135.24 57.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 173.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -112.6 30.53 7.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -177.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.83 -156.23 28.55 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 177.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo . . . . . 0 C--O 1.2 -1.38 0 C-N-CA 121.788 1.659 . . . . 0.0 111.273 -177.724 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.791 0.329 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.0 m -126.1 160.84 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.249 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -71.45 -63.01 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -96.6 143.28 27.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.209 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -121.57 3.4 10.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.226 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.0 -51.28 69.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -173.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.48 -32.32 72.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.263 -175.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -69.64 -34.65 74.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.252 177.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -71.62 -36.25 70.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.226 177.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.08 -41.28 98.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 177.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.8 mt -80.47 -28.89 37.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.58 43.1 10.57 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.29 141.62 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.35 . . . . 0.0 111.228 -174.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -65.32 144.15 98.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -69.36 -13.44 35.66 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 121.721 1.614 . . . . 0.0 111.228 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.0 p -77.69 -11.12 59.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.3 146.4 48.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.254 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -83.13 -178.45 7.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.228 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.38 -39.85 92.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -171.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -66.74 -41.55 87.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -72.46 -33.5 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.21 -39.76 95.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 173.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.81 -43.24 99.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.204 174.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -57.75 -40.55 79.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.76 -45.32 93.57 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 175.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -62.19 -45.84 91.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 111.242 177.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -57.3 -42.36 81.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.234 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.22 -46.8 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.216 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.29 80.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.41 97.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.82 -40.84 92.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.286 173.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.49 -44.39 84.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.262 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -108.04 25.25 11.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.261 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -65.42 132.29 95.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.245 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -54.4 -33.9 78.83 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.734 1.623 . . . . 0.0 111.224 -174.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -92.66 9.45 34.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.152 -170.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.23 157.59 36.73 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.209 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -55.99 -31.35 81.86 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.654 1.569 . . . . 0.0 111.237 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.4 p -99.2 19.84 14.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 -176.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.9 141.95 48.3 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -153.52 104.09 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.219 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.9 m -60.11 -42.16 94.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.215 -173.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.27 -51.42 70.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.277 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.08 -33.16 71.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -62.84 -40.32 97.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 176.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.92 -42.92 99.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.269 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.61 -46.26 89.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 -177.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.0 pt -74.13 -24.53 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.251 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.5 m -71.04 -38.99 72.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 175.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -63.35 -43.89 96.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 170.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.64 86.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.0 -56.29 23.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -55.79 -49.87 72.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.189 -176.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.82 -40.94 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.274 -177.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.6 mt -88.17 -5.65 58.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.258 -177.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -82.68 -58.95 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 172.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -61.43 117.24 25.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -52.2 -36.6 67.65 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.668 1.579 . . . . 0.0 111.231 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -68.7 -44.44 73.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.46 -35.36 68.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.7 ttp-105 -64.83 -44.22 90.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.195 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -62.32 -44.29 96.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.93 -42.99 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.272 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -62.11 -51.18 68.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.82 -36.13 80.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 -176.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -87.19 -67.82 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.244 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -80.33 -51.29 9.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -168.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.8 -172.3 22.9 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.48 -47.73 62.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 111.252 -172.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -56.24 -41.96 76.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.279 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.74 -42.26 91.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.19 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.22 94.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.248 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.2 mtp85 -66.59 -41.08 89.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.7 p -83.61 -23.31 31.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.211 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.84 29.02 57.97 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -177.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.37 -160.39 10.75 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -173.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -78.19 177.44 8.77 Favored 'Trans proline' 0 C--N 1.328 -0.509 0 C-N-CA 121.687 1.592 . . . . 0.0 111.196 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.4 p -69.06 157.52 36.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.186 177.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -127.29 71.61 1.34 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.189 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.0 -153.35 17.55 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -178.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo . . . . . 0 C--O 1.2 -1.395 0 C-N-CA 121.763 1.642 . . . . 0.0 111.179 179.822 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 2' ' ' VAL . 97.6 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.739 0.304 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.463 ' N ' ' OG ' ' A' ' 1' ' ' SER . 35.2 m -127.02 162.07 32.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -51.42 46.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.205 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -119.26 145.06 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.235 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.5 p -116.49 8.38 13.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.225 -176.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.8 -49.04 74.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -174.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.86 -30.48 64.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.277 -175.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -71.79 -32.97 68.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.233 177.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.1 -36.4 72.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.73 -42.82 99.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.198 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.9 mt -79.04 -29.61 43.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.227 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.42 43.43 9.4 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -141.95 142.4 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.762 0.315 . . . . 0.0 111.243 -174.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.433 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 31.2 t -62.49 138.68 96.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 -176.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 76.9 Cg_exo -55.0 -27.14 53.0 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.644 1.562 . . . . 0.0 111.233 175.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.0 p -70.74 -16.28 62.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -176.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.99 144.91 53.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -85.59 174.81 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 177.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -58.27 -32.45 68.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 -171.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -68.82 -44.5 73.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -73.89 -31.18 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.235 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.1 mt -65.67 -37.1 85.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.14 -44.6 94.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.26 172.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.07 -41.02 82.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.236 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.94 -44.96 95.79 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -60.22 -47.37 86.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 111.217 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -56.78 -41.98 78.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.184 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.54 -46.27 80.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.158 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.97 -34.6 78.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.37 96.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.0 mt -70.42 -41.45 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 174.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -58.26 -41.96 85.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.224 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -110.67 30.38 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 42.7 t-80 -56.98 123.82 61.67 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.235 -176.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 89.9 Cg_exo -56.52 -34.49 95.17 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.715 1.61 . . . . 0.0 111.221 -172.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -88.68 2.22 53.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 -169.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -103.08 147.2 33.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.091 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.33 -14.22 25.43 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.693 1.596 . . . . 0.0 111.242 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.2 p -107.6 12.11 27.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.202 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.4 -164.23 35.9 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -160.67 106.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 111.098 -178.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.9 m -63.48 -43.26 97.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.219 -174.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.43 -47.97 83.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -66.8 -36.83 83.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -56.22 -43.01 78.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 175.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.47 -39.46 94.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 176.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.67 -44.79 89.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.5 pt -75.39 -23.01 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.3 m -71.18 -39.48 71.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 174.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.36 -48.1 82.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 169.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.87 -45.44 74.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.188 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' ASN . 54.7 t80 -60.01 -55.24 36.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 178.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -51.82 -47.66 64.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.23 -176.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.4 mt -67.15 -42.77 88.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -87.88 -6.07 58.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -174.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.9 t30 -80.85 -57.33 3.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.253 174.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -65.66 116.11 28.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 174.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -52.09 -35.96 64.02 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.737 1.624 . . . . 0.0 111.238 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -68.05 -46.07 72.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -67.93 -35.48 78.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.185 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.4 ttp85 -61.37 -45.18 95.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.209 176.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -62.57 -37.36 85.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.247 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.79 -45.79 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 175.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -65.78 -54.29 29.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -57.5 -39.0 75.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.238 -176.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -84.26 -54.75 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.197 -175.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -100.44 -43.14 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.216 -167.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.02 -178.15 17.24 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.9 -44.61 95.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.784 0.326 . . . . 0.0 111.22 -174.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -50.59 -45.85 57.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.267 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.03 87.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 177.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.71 -33.36 75.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.238 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -80.97 -40.34 24.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.3 p -84.31 -23.58 30.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.21 -175.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.81 54.26 2.09 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.01 -173.39 38.42 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -178.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -59.61 139.21 87.88 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.668 1.579 . . . . 0.0 111.256 -177.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.1 t -85.45 127.38 34.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.155 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -78.95 69.95 5.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.47 169.42 12.89 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo . . . . . 0 C--O 1.199 -1.436 0 C-N-CA 121.56 1.507 . . . . 0.0 111.228 -179.616 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.742 0.306 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.4 t -108.33 97.77 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -77.99 -39.84 41.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.259 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -122.51 141.83 51.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.232 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.8 p -121.07 11.25 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.195 -179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -56.28 -48.12 77.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.188 -174.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.47 -32.45 68.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.163 -176.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -68.86 -34.45 75.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.196 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.61 -35.93 73.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.188 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.3 mt -61.41 -41.21 96.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 175.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.7 mt -79.61 -27.94 41.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.211 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.5 42.26 10.46 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.9 p -144.4 138.92 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.741 0.305 . . . . 0.0 111.258 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.2 t -64.22 143.88 98.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.83 -10.4 26.28 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.725 1.617 . . . . 0.0 111.177 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.9 p -77.43 -11.82 59.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.246 173.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.45 151.83 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.268 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -83.23 179.2 7.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.193 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.9 -40.9 98.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 -169.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -67.27 -39.74 86.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.33 -36.08 78.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.61 -39.79 95.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 175.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.05 -43.84 97.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.32 -38.41 80.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.2 -46.15 93.16 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 174.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -60.75 -46.34 90.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 111.206 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.55 -42.08 77.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.75 -46.3 79.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.229 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.9 -35.83 81.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.5 97.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.01 -40.62 91.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 173.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.28 -44.62 84.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -107.59 23.97 13.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.238 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -65.61 132.7 95.03 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -176.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -54.3 -33.95 78.11 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.722 1.615 . . . . 0.0 111.216 -174.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -92.48 9.62 33.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.226 -170.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.05 157.28 37.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.178 176.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -55.85 -31.63 81.81 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.654 1.569 . . . . 0.0 111.248 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.3 p -99.19 20.17 13.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.226 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.98 142.43 48.49 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -153.28 103.66 2.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.767 0.318 . . . . 0.0 111.234 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.5 m -59.78 -42.15 92.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 -173.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.31 -51.96 67.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.227 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.97 -33.89 72.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.188 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -62.44 -40.69 97.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.126 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.98 -43.13 99.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 175.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.62 -46.68 88.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.204 -177.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 pt -73.66 -25.11 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.0 m -70.98 -40.11 72.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.182 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -62.36 -47.32 84.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.26 170.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.78 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' ASN . 67.2 t80 -59.61 -53.48 57.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -52.88 -48.34 67.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.215 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.93 -42.22 88.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -86.54 -7.0 58.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 -174.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.9 t30 -81.51 -57.94 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 173.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -64.19 116.78 30.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 175.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -52.41 -36.18 68.35 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.666 1.578 . . . . 0.0 111.128 -177.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -68.8 -43.4 75.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.04 -36.56 69.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.181 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.8 ttp-105 -63.97 -44.02 94.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.216 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -57.48 -50.34 73.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.212 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.27 -41.08 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -59.75 -55.52 33.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.203 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -71.1 -28.98 64.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 -175.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -80.9 -39.81 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 -176.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -120.15 -48.62 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.188 -170.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 140.2 -178.8 19.6 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.5 tp -62.68 -49.99 72.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 111.233 -175.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -61.59 -32.23 72.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -176.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.33 84.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.241 172.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.99 78.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.224 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -70.16 -34.33 72.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 177.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.9 p -78.87 -22.62 45.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.22 39.06 13.31 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 175.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.37 179.62 43.33 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -57.08 142.25 94.22 Favored 'Trans proline' 0 C--N 1.327 -0.574 0 C-N-CA 121.768 1.645 . . . . 0.0 111.093 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.1 t -101.1 109.49 21.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.243 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -154.09 160.77 42.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.186 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.55 -176.87 38.65 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo . . . . . 0 C--O 1.2 -1.381 0 C-N-CA 121.726 1.617 . . . . 0.0 111.263 -178.006 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.455 ' OG ' ' N ' ' A' ' 2' ' ' VAL . 97.7 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.765 0.317 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.455 ' N ' ' OG ' ' A' ' 1' ' ' SER . 35.3 m -127.34 162.43 32.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -68.63 -59.19 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -109.27 146.63 33.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.282 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.1 p -115.23 5.18 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.162 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.38 -50.73 61.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.22 -173.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.7 mt -72.24 -32.68 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 -175.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -69.24 -33.58 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.19 175.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -74.38 -34.59 63.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.217 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.23 -41.57 98.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 174.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.2 mt -78.78 -29.51 45.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 178.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.68 43.17 9.32 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 p -140.71 142.88 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 111.193 -174.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -61.76 142.78 94.55 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -70.78 -12.91 31.64 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.728 1.619 . . . . 0.0 111.166 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.0 p -78.4 -11.62 59.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.5 147.43 46.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.271 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -87.17 174.92 8.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -58.21 -32.64 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 -171.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.14 -44.55 75.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.175 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -74.41 -31.07 62.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.0 mt -65.57 -36.86 85.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 175.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.13 -44.4 94.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.218 172.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.3 -40.33 81.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.207 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.94 -44.87 95.85 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.58 -46.3 90.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 111.135 177.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -56.52 -42.43 78.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.38 -45.8 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.11 85.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.0 95.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.264 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.23 -41.29 90.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.249 174.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -57.5 -45.74 84.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -104.46 22.65 14.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.8 t-80 -65.59 133.38 95.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 -176.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 80.4 Cg_exo -54.32 -33.62 76.89 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.714 1.61 . . . . 0.0 111.149 -174.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -93.08 12.11 25.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.181 -171.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.41 156.5 41.15 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -55.96 -31.78 83.24 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 121.698 1.599 . . . . 0.0 111.122 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.5 p -99.43 21.4 12.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.152 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.23 142.48 47.71 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -152.07 100.69 2.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 111.163 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.9 m -59.88 -42.24 93.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.237 -173.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.6 -52.19 66.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -69.67 -33.18 72.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -60.46 -40.05 89.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.17 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.17 -39.23 78.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.242 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.79 -43.81 97.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.9 pt -74.47 -24.82 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 61.8 m -70.09 -40.14 75.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.96 -47.89 81.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 170.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.8 -45.64 70.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ASN . 57.5 t80 -59.63 -55.3 36.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 178.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -52.38 -48.0 65.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -176.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.27 -42.76 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.268 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -87.48 -6.37 58.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.237 -174.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.0 t30 -80.76 -56.68 3.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 174.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -66.76 116.09 31.38 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 174.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -52.44 -35.3 65.13 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.715 1.61 . . . . 0.0 111.213 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -70.47 -43.69 69.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.154 -177.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.4 -38.52 81.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.208 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -62.03 -44.94 95.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -54.34 -46.86 73.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.18 -45.58 92.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -62.46 -50.34 71.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.187 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -60.55 -37.38 81.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 -175.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -87.16 -38.84 16.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 -173.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -117.09 -45.17 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -167.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.68 -177.12 16.93 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 174.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.4 tp -64.25 -45.03 89.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.868 0.366 . . . . 0.0 111.211 -174.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.35 -47.5 47.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.257 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.37 89.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 178.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.96 -36.3 79.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.266 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -78.61 -40.33 34.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.21 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.8 p -81.87 -22.22 37.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 -175.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.69 141.98 9.37 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -177.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.65 170.0 49.63 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -176.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -75.75 154.46 39.05 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 C-N-CA 121.689 1.592 . . . . 0.0 111.221 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.4 t 59.66 -158.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -71.01 128.94 37.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.268 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.51 -176.04 30.89 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo . . . . . 0 C--O 1.2 -1.416 0 C-N-CA 121.693 1.595 . . . . 0.0 111.19 178.927 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.788 0.328 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.2 t -111.53 104.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.54 -61.09 1.9 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.211 -176.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -110.28 148.1 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.201 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.9 p -118.06 4.85 12.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.23 -51.6 57.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.258 -172.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.9 mt -71.48 -33.35 69.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -175.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -68.19 -34.33 76.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.134 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -73.95 -34.57 64.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.37 -40.95 98.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 175.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.1 mt -79.92 -29.15 39.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.208 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.61 43.34 9.28 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.1 p -141.58 142.04 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.908 0.385 . . . . 0.0 111.1 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.5 t -61.98 142.69 95.15 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.32 -11.16 26.5 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.731 1.621 . . . . 0.0 111.254 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.1 p -76.44 -12.19 60.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.209 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.87 147.17 45.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.185 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -85.97 176.01 8.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -58.97 -32.79 69.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 -172.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -68.31 -44.11 76.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.205 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -74.44 -31.19 62.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.203 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.23 -36.96 85.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.22 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.57 -44.82 93.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.255 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.19 -39.39 78.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.266 176.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.57 -44.74 95.35 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 175.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -61.88 -45.11 95.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 111.226 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.33 -42.18 77.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.06 -46.33 74.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.254 177.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.46 80.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.236 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.26 96.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.87 -40.66 91.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.282 173.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.28 -44.88 84.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -107.51 25.1 11.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.202 -177.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -66.12 133.04 94.62 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.24 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -54.09 -33.88 75.66 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.706 1.604 . . . . 0.0 111.231 -174.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -92.76 11.26 27.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.255 -171.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -110.85 156.75 40.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 176.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -55.89 -31.63 82.15 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.633 1.556 . . . . 0.0 111.24 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.3 p -99.42 19.53 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.2 -176.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.28 142.5 48.41 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -154.28 104.63 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.249 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.8 m -60.55 -43.11 97.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -173.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -58.15 -50.74 72.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.228 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.95 -31.66 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -62.78 -40.18 96.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.269 176.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.85 -38.89 90.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.197 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.51 -46.09 91.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.0 pt -74.53 -23.42 18.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.1 m -71.42 -39.16 71.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 176.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -64.81 -42.95 94.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.2 170.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.23 -45.04 84.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.208 175.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' A' ' 56' ' ' ASN . 52.6 t80 -59.99 -59.17 5.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.214 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -53.56 -46.91 70.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -175.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 90.8 mt -67.69 -41.17 85.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -177.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.3 mt -88.58 -7.96 55.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.217 -176.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.1 t30 -80.5 -56.11 4.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.271 175.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.4 120.31 57.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.169 174.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -54.56 -40.25 84.7 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.735 1.623 . . . . 0.0 111.234 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -70.11 -43.4 71.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.255 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.07 -39.33 93.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -62.83 -45.55 92.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 177.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.61 -47.68 81.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.165 175.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.8 mt -58.98 -41.8 84.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -60.85 -50.76 72.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.52 -35.64 78.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 -177.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -85.26 -41.24 15.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.226 -174.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -117.75 -44.92 2.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.222 -166.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 126.81 -172.25 18.4 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 173.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.02 -51.78 68.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 111.257 -172.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.48 -48.54 56.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -172.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.62 -47.99 73.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.9 -38.55 76.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -177.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -66.81 -42.48 85.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.239 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.9 p -78.56 -23.68 46.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.167 177.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.04 41.49 10.34 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.1 164.61 51.51 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -78.46 177.28 8.94 Favored 'Trans proline' 0 C--N 1.328 -0.548 0 C-N-CA 121.735 1.623 . . . . 0.0 111.192 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.6 t -65.64 143.04 57.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.266 173.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -119.81 20.25 12.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.263 -176.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.59 -170.69 35.52 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -177.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo . . . . . 0 C--O 1.2 -1.395 0 C-N-CA 121.64 1.56 . . . . 0.0 111.191 -177.8 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.745 0.307 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -82.68 -81.78 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -78.97 142.47 36.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.3 p -118.57 6.2 11.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.21 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -51.03 -52.72 40.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.117 -173.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.6 mt -69.12 -34.22 74.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.129 -174.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.03 -33.96 74.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.191 176.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -73.48 -34.21 65.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.255 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.01 -42.07 98.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 174.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.59 -29.46 46.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.197 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.6 43.06 9.48 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 p -142.42 142.27 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 111.104 -174.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.7 t -60.65 142.22 91.72 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.82 -10.82 25.32 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.759 1.639 . . . . 0.0 111.175 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.8 p -74.88 -13.47 60.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.247 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.81 145.85 48.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -85.27 176.96 8.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.233 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -58.69 -33.81 70.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 -171.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -68.78 -43.87 74.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -74.12 -31.46 62.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.96 -37.26 87.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.204 174.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.8 -44.39 93.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.184 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.26 -40.49 81.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.244 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.25 -44.71 96.28 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -60.2 -46.74 88.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.784 0.326 . . . . 0.0 111.183 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.3 -41.6 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.53 -47.07 77.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.19 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.46 -34.92 79.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.201 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.48 -40.35 96.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.192 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.8 -40.83 92.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 173.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.33 -44.68 84.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -107.81 25.04 12.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.181 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.5 132.43 95.07 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 -176.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -54.46 -33.9 79.45 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.674 1.582 . . . . 0.0 111.266 -174.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -92.44 9.41 34.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.276 -170.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.09 157.52 36.82 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -55.87 -31.67 82.11 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.765 1.643 . . . . 0.0 111.212 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.3 p -99.18 20.01 14.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.231 -176.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.14 142.35 48.42 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -153.37 104.02 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.786 0.327 . . . . 0.0 111.18 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.8 m -60.14 -42.0 93.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.212 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.3 -51.53 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.08 -33.71 72.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.54 -40.41 96.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.93 -43.25 99.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.227 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.58 -46.69 88.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.213 -178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.4 pt -74.03 -25.05 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.19 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.3 m -71.05 -38.56 72.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 175.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.59 -45.63 89.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.05 -43.41 86.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.419 ' O ' ' N ' ' A' ' 56' ' ' ASN . 44.6 t80 -59.97 -58.33 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -57.91 -44.36 86.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.18 -42.22 93.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.252 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.9 mt -87.11 -10.48 52.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.182 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 52' ' ' PHE . 50.8 t30 -73.81 -49.79 23.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.252 174.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -67.25 115.35 25.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 172.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -52.94 -35.71 72.23 Favored 'Trans proline' 0 C--N 1.328 -0.531 0 C-N-CA 121.683 1.588 . . . . 0.0 111.241 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -69.13 -44.73 71.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -177.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -70.88 -35.24 72.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.271 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -62.66 -46.34 88.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.261 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -58.12 -48.24 80.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.8 mt -59.39 -41.64 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -59.64 -50.75 72.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.03 -39.25 89.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.275 -177.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -84.55 -37.04 21.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.244 -171.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -119.74 -46.24 2.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.174 -168.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.38 -173.19 18.63 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.78 -46.73 88.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 111.183 -172.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -50.1 -52.35 35.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.191 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.9 -39.33 90.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.247 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -178.618 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.771 0.32 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -70.38 -59.75 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.23 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -111.32 146.21 37.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.2 p -120.45 9.24 10.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 -177.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -55.19 -51.17 67.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.43 -33.64 74.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -66.57 -36.77 83.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.222 176.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.37 -34.22 72.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.214 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.02 -38.31 88.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.19 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -84.37 -23.97 29.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.72 43.67 8.94 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -145.98 143.52 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 111.185 -176.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.456 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 31.0 t -59.7 138.91 89.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 -177.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 67.3 Cg_exo -55.32 -28.68 63.98 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.775 1.65 . . . . 0.0 111.133 176.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.1 p -77.55 -10.6 59.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 -174.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.04 158.95 32.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -84.53 -176.68 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.251 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 22' ' ' LEU . 59.6 mp0 -72.34 -23.53 61.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.211 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -64.16 -40.54 96.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -74.2 -31.65 62.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 19' ' ' GLU . 80.3 mt -61.37 -39.92 92.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 172.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.93 -43.48 95.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.198 174.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.6 -45.34 94.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.25 177.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.8 -44.53 96.94 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -63.21 -46.03 88.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 111.199 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -58.67 -43.74 90.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.03 -46.62 77.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.223 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.24 -35.73 80.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.216 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.38 96.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.36 -41.22 89.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.211 174.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.98 -43.85 86.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -106.58 23.1 14.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.7 t-80 -64.62 132.07 95.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.237 -176.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 79.9 Cg_exo -54.48 -34.0 80.05 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.649 1.566 . . . . 0.0 111.186 -174.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -92.32 9.07 35.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 -170.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -108.86 157.48 36.72 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.189 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -55.82 -31.37 80.54 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.644 1.563 . . . . 0.0 111.175 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.4 p -99.23 19.69 14.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -176.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.07 141.2 47.79 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -153.36 103.3 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 0.0 111.194 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.0 m -60.42 -41.97 95.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.211 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.87 -51.71 68.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.04 -33.23 71.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.53 -40.04 95.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.215 175.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.43 -42.84 98.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -59.27 -46.45 88.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 -177.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.2 pt -73.21 -25.11 21.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.207 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.9 m -71.56 -38.84 70.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.243 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.63 -44.16 94.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.267 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.06 84.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -60.19 -54.81 41.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -56.56 -49.47 74.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.38 -41.87 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.1 mt -85.43 -15.88 41.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 -174.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -74.17 -52.34 12.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -67.69 116.42 37.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -52.53 -36.55 71.12 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 121.719 1.612 . . . . 0.0 111.235 -178.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -69.32 -43.84 72.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.256 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.12 -35.77 71.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.226 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -63.34 -43.97 96.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -58.53 -50.56 73.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.8 mt -58.51 -41.32 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -60.06 -54.9 40.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -72.09 -25.92 61.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -175.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -82.57 -41.3 19.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -119.23 -45.74 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.245 -170.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.29 179.41 16.42 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.31 -43.62 96.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.771 0.319 . . . . 0.0 111.139 -176.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -48.35 -51.26 27.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.247 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.2 -41.25 90.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.229 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 -179.249 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.1 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.81 0.338 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -72.61 -61.03 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -109.69 148.19 31.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.21 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.1 p -121.09 10.6 10.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.68 -51.89 67.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.218 -175.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.48 -33.23 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.185 -175.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -68.17 -35.73 78.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -70.45 -35.99 73.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.54 -41.05 96.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.203 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.7 mt -80.06 -28.76 39.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.35 42.72 9.08 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p -141.28 142.76 28.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.351 . . . . 0.0 111.115 -174.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.445 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 29.9 t -60.32 138.58 91.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 -178.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 54.1 Cg_exo -56.25 -25.95 58.71 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.731 1.621 . . . . 0.0 111.22 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.3 p -77.19 -10.05 59.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.05 144.73 55.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.8 p30 -83.51 -179.78 7.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.282 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.42 -47.06 76.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.146 -172.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -65.34 -40.85 94.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -71.13 -33.36 70.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.59 -38.67 91.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.26 174.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.61 -43.26 99.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.45 -40.94 79.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.24 -45.55 93.98 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -61.8 -45.41 93.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.213 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.62 -42.62 79.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.65 -46.58 75.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.191 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.21 -35.65 81.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.45 97.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.187 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.9 -40.84 91.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.228 173.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.45 -44.69 84.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -107.91 25.18 11.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -65.24 132.35 95.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 -176.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -54.51 -33.95 80.2 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.716 1.611 . . . . 0.0 111.189 -174.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -92.56 9.57 34.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 -170.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.51 157.59 36.97 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.186 176.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -56.04 -31.41 82.48 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.551 1.501 . . . . 0.0 111.25 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.8 p -99.14 19.91 14.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.11 142.24 48.4 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -153.46 103.94 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 0.0 111.19 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.7 m -60.12 -42.21 94.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -173.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.25 -51.49 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.239 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.01 -33.21 71.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -63.01 -40.21 97.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.74 -43.2 99.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 175.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.34 -46.36 88.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 pt -74.27 -24.63 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.2 m -71.16 -39.21 72.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 175.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -64.13 -44.15 93.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.216 170.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.28 -46.07 83.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 56' ' ' ASN . 61.5 t80 -60.04 -56.74 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -54.31 -47.37 72.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.217 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.1 mt -66.73 -41.09 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.4 mt -87.29 -7.22 58.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -176.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' PHE . 40.1 t30 -81.19 -58.3 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 175.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -63.08 117.19 30.7 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 175.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -52.27 -35.92 65.75 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.711 1.607 . . . . 0.0 111.136 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -68.76 -43.93 74.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.274 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.38 -37.61 71.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.244 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.0 ttp-105 -64.0 -44.45 92.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.179 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.02 -48.47 78.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.7 -43.13 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.275 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -60.16 -50.42 73.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.238 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.87 -36.74 84.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -85.21 -40.23 16.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.214 -173.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -117.01 -45.31 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 -167.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.02 -177.78 17.19 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.88 -48.76 75.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 111.182 -174.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.56 -47.61 57.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.26 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.66 96.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.261 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.248 -179.809 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.805 0.336 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -69.22 -59.7 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 178.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -108.38 145.7 34.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.238 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.8 p -117.41 8.2 12.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.39 -49.34 72.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -174.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.8 mt -72.48 -31.14 65.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 -175.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -70.69 -33.23 70.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 176.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -71.24 -36.4 71.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 177.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.52 -42.74 99.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.283 176.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -77.98 -29.51 49.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.21 42.54 10.52 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.9 p -141.11 141.7 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.714 0.292 . . . . 0.0 111.259 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.6 t -63.75 143.66 98.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.26 -13.65 36.31 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 121.662 1.575 . . . . 0.0 111.282 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.2 p -79.49 -9.98 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.261 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.85 147.75 49.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.207 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -83.45 -178.14 6.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.0 -44.69 94.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.289 -170.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -68.46 -39.72 81.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -67.37 -36.72 81.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.72 -40.03 95.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.253 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.08 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.189 175.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.32 -39.51 83.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.221 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.36 -45.83 93.78 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -60.42 -46.9 88.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.681 0.277 . . . . 0.0 111.136 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -57.46 -41.95 81.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -177.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.16 -46.39 81.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.23 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.95 -36.09 82.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.201 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.03 96.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.264 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.82 -41.33 91.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 174.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -57.26 -45.37 84.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -104.65 21.67 16.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.23 -176.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.35 132.77 95.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -54.53 -33.83 79.85 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.662 1.575 . . . . 0.0 111.227 -174.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -92.03 9.56 32.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.253 -170.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.17 157.11 38.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.218 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -55.96 -31.5 82.14 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.806 1.671 . . . . 0.0 111.215 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.8 p -99.4 20.62 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.263 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.71 141.26 47.62 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -153.04 102.67 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 111.174 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.4 m -60.3 -41.84 94.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.177 -173.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.91 -52.16 66.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.198 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.0 -33.83 72.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.28 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -62.16 -40.42 95.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.43 -42.85 98.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 176.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.07 -45.58 92.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.251 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.4 pt -73.85 -25.49 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.5 m -71.42 -39.19 71.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 175.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.82 -48.99 79.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.169 170.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.43 -45.73 80.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.266 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ASN . 65.9 t80 -59.89 -54.18 49.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.21 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -51.62 -48.06 63.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.249 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.7 mt -67.19 -43.03 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.4 mt -86.52 -7.2 58.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 -174.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.7 t30 -81.71 -57.49 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 174.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -63.9 116.58 28.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -52.11 -36.73 67.23 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 121.676 1.584 . . . . 0.0 111.185 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -68.56 -47.02 67.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.27 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.89 -37.9 82.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.5 ttp85 -60.68 -48.12 83.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.157 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.26 -40.32 93.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.0 mt -61.15 -44.57 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -62.51 -50.06 72.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.214 175.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -61.53 -35.86 78.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -175.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -87.68 -41.21 13.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.189 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -115.2 -47.29 2.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.226 -166.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.9 -175.53 19.07 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.7 tp -64.92 -48.79 72.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 111.121 -172.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.8 -47.08 51.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.245 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.56 92.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.251 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.21 -179.205 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 32.1 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.829 0.347 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.64 -49.34 66.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -121.49 145.28 48.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.2 p -113.91 2.99 15.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -51.64 -50.55 60.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -173.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.8 mt -73.9 -31.97 63.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.289 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -68.5 -33.94 75.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.214 174.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -73.6 -34.64 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.95 -41.76 98.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.222 175.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.428 ' HB2' HG12 ' A' ' 13' ' ' VAL . 80.0 mt -79.38 -29.35 42.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.51 42.85 9.79 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.428 HG12 ' HB2' ' A' ' 11' ' ' LEU . 9.3 p -140.15 142.18 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 111.197 -174.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.417 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 29.6 t -62.43 138.28 96.38 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 -176.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 73.2 Cg_exo -54.85 -27.65 54.2 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.764 1.643 . . . . 0.0 111.23 175.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.0 p -70.58 -16.51 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.32 143.85 55.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -84.59 175.97 8.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.212 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 -58.2 -33.34 69.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.194 -171.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.88 -44.37 73.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -74.27 -30.93 62.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.224 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.71 -37.11 85.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 175.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.53 -43.99 96.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.239 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.63 -40.52 83.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.49 -44.55 96.63 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 175.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -60.28 -47.29 86.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.271 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -56.34 -42.28 77.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.195 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.38 -52.03 66.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.21 -35.44 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.1 99.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.206 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.93 -40.24 87.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 174.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.55 -44.51 85.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -107.03 23.39 14.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.199 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.8 t-80 -65.77 133.16 94.97 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.231 -176.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 78.1 Cg_exo -54.12 -33.65 74.96 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.695 1.596 . . . . 0.0 111.181 -174.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -92.89 11.91 25.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -171.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -111.02 156.75 40.37 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.18 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -55.72 -31.97 82.21 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.724 1.616 . . . . 0.0 111.223 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.6 p -99.61 21.66 11.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.07 143.14 48.64 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -152.15 101.6 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.21 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.6 m -59.18 -41.91 89.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.215 -174.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.65 -51.84 68.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -70.47 -34.7 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -60.67 -40.44 92.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.83 -44.22 90.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.223 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.33 -45.09 94.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.7 pt -74.09 -25.2 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.252 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.7 m -71.78 -39.63 69.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.26 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.4 -45.07 89.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.237 171.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.18 81.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' ASN . 59.3 t80 -59.41 -53.52 57.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 178.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -49.45 -49.24 46.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.22 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 90.0 mt -66.74 -43.11 90.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.7 mt -87.43 -5.36 58.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.5 t30 -81.0 -57.29 3.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 174.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -65.44 116.49 31.67 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -51.63 -36.58 61.25 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.664 1.576 . . . . 0.0 111.208 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -68.4 -45.43 72.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 -178.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.2 -37.43 80.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -60.39 -47.18 87.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.255 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.64 -40.6 95.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.261 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.1 -42.44 95.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 176.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -61.61 -49.45 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 175.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -63.21 -33.89 76.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 -175.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -90.71 -42.47 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -112.85 -46.11 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.254 -167.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.99 -177.61 18.32 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 173.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 69' ' ' LEU . 9.8 tt -58.43 -49.94 75.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 111.26 -174.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -55.04 -40.55 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.74 -45.36 78.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.256 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.182 -179.535 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 66.6 t . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 120.783 0.325 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -92.67 -60.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -96.03 142.5 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.219 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.8 p -123.89 10.58 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.226 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -54.6 -51.77 64.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.75 -34.22 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.262 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -69.84 -36.5 75.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.16 -36.41 74.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.07 -39.01 93.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.123 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 26' ' ' TYR . 87.4 mt -77.19 -30.6 54.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 176.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.12 42.16 9.7 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -143.3 140.75 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 111.182 -175.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -64.45 142.63 98.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.97 -9.91 24.1 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.733 1.622 . . . . 0.0 111.128 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.7 p -71.56 -16.62 62.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.275 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.1 148.09 42.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.7 p30 -84.82 174.64 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.3 mp0 -60.22 -31.83 70.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 -170.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -68.82 -42.69 76.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -74.29 -30.52 62.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.43 -35.59 80.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 175.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.91 -45.39 90.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 171.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.1 -39.94 83.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 176.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.31 -44.06 96.82 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.402 ' HA ' HD22 ' A' ' 11' ' ' LEU . 42.8 t80 -60.06 -46.41 89.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.763 0.316 . . . . 0.0 111.151 177.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -56.47 -42.22 77.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.56 -43.84 79.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.18 86.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.74 96.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.258 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.02 -40.88 82.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 173.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.88 -44.53 86.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.24 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -106.13 22.81 15.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 59.2 t-80 -65.69 133.69 95.16 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.179 -177.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 76.9 Cg_exo -54.02 -33.36 72.81 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.684 1.59 . . . . 0.0 111.172 -174.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -93.04 13.23 21.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 -171.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -112.01 156.12 42.31 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.196 176.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -55.89 -32.06 83.77 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.68 1.587 . . . . 0.0 111.176 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.5 p -99.37 21.64 11.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.53 143.87 48.72 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -151.18 97.42 2.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.761 0.315 . . . . 0.0 111.223 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.8 m -58.69 -41.35 86.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.244 -173.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.7 -55.37 35.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.11 -32.18 71.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -57.48 -40.33 78.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.233 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.85 -37.07 73.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 174.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.21 -41.94 93.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.1 pt -72.89 -25.19 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.4 m -69.68 -39.66 76.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.285 173.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.11 -47.7 83.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 169.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.69 -43.35 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 176.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -58.46 -55.95 28.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.106 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -52.77 -50.54 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.234 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.39 -44.76 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.245 -176.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.2 mt -89.01 -11.36 44.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.234 -171.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -77.13 -50.42 13.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.181 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -67.93 115.84 32.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.26 172.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -52.39 -36.59 69.74 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.744 1.629 . . . . 0.0 111.171 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -70.13 -47.7 60.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.63 -35.46 78.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -59.5 -46.61 88.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -64.72 -40.6 95.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.0 mt -59.11 -43.89 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.225 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -60.01 -50.56 73.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -70.81 -33.15 70.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.229 -173.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -84.59 -36.78 21.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 -175.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -118.97 -46.23 2.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.285 -170.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.18 177.94 15.15 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.8 -44.96 96.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.89 0.376 . . . . 0.0 111.187 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -48.83 -48.83 41.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.24 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.74 92.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -178.504 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.806 0.336 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.66 -60.75 2.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.253 -176.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -109.57 148.37 31.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.179 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.5 p -117.17 4.49 12.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.76 -52.1 57.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 -172.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.73 -33.91 74.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.195 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -68.59 -33.97 74.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.212 176.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -74.29 -33.79 63.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.74 -41.54 99.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.215 174.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.0 mt -77.67 -30.15 51.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.0 42.19 9.77 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -143.39 140.0 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.865 0.365 . . . . 0.0 111.237 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.7 t -63.61 143.33 97.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.95 -10.67 26.53 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.674 1.582 . . . . 0.0 111.169 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.9 p -76.84 -11.82 59.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 173.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.8 148.15 46.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -82.58 -178.62 7.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.61 -41.98 95.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -171.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.84 -40.27 83.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -71.43 -33.71 69.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.229 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.95 -39.63 94.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.56 -43.22 99.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 174.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -57.71 -41.28 81.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.79 -45.6 93.3 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -61.27 -47.43 86.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.757 0.313 . . . . 0.0 111.109 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -57.11 -42.0 80.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.88 -47.45 77.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.72 -33.97 75.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.139 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.96 97.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.185 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -72.52 -39.51 67.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.286 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.09 -42.31 85.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -110.07 21.09 17.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 -176.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.1 t-80 -51.4 133.93 33.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.249 -173.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 98.2 Cg_exo -54.7 -34.97 86.01 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 121.737 1.625 . . . . 0.0 111.214 -176.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -92.47 4.49 53.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.225 -173.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -82.75 130.54 57.8 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -52.34 -37.69 71.82 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.71 1.607 . . . . 0.0 111.194 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.0 p -115.18 36.53 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.17 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.39 -164.72 40.43 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -156.46 100.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 111.206 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.3 m -61.87 -42.25 98.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.16 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.97 -48.6 80.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.195 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -66.49 -36.43 82.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.197 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -57.01 -41.94 79.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.81 -39.45 93.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -63.82 -44.64 92.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.4 pt -75.01 -23.56 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.8 m -70.65 -38.86 73.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -63.16 -44.29 95.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.254 170.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.53 82.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.243 176.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.28 -56.12 25.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -54.45 -47.74 72.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.179 -176.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.0 mt -66.6 -41.97 89.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.226 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.6 mt -87.18 -8.95 56.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 -175.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -81.47 -57.93 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 174.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.0 121.25 60.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 175.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -54.02 -42.84 63.52 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.725 1.617 . . . . 0.0 111.167 -175.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -66.46 -50.31 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.205 -177.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.22 -39.9 92.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -60.44 -47.89 84.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -62.43 -39.5 93.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.25 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.91 -43.96 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.193 177.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.02 -50.62 71.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 175.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.02 -36.58 82.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -175.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -86.74 -39.91 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 -173.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -117.23 -45.75 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -167.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.12 -177.19 17.79 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.7 tp -63.66 -46.93 83.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.332 . . . . 0.0 111.182 -174.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.58 -47.45 49.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.242 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.17 -44.51 91.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.222 177.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 -179.375 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.9 t . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.837 0.351 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -71.75 -59.22 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.249 -176.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -111.88 145.57 39.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.1 p -120.77 11.15 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -55.86 -53.07 61.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.52 -33.35 74.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 -175.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -68.75 -37.43 79.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.303 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.82 -36.94 73.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.9 -39.37 94.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 26' ' ' TYR . 86.9 mt -78.15 -31.01 49.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.183 177.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.14 42.78 8.5 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.6 p -141.39 142.62 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.354 . . . . 0.0 111.212 -175.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.416 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 30.1 t -60.99 137.99 94.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.231 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 56.9 Cg_exo -55.76 -26.73 58.21 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.653 1.569 . . . . 0.0 111.194 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.0 p -73.86 -13.37 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.97 144.85 55.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -84.09 175.68 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.191 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -59.38 -31.78 69.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 -171.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -69.43 -44.46 71.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.149 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -74.2 -30.9 62.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.453 HD13 ' HB3' ' A' ' 55' ' ' LEU . 94.3 mt -66.94 -35.94 81.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 175.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -59.29 -45.09 92.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 171.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.54 -39.25 79.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.51 -44.14 95.58 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.425 ' HA ' HD22 ' A' ' 11' ' ' LEU . 49.0 t80 -61.4 -45.33 94.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.795 0.331 . . . . 0.0 111.204 177.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -56.92 -42.98 80.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.69 -44.55 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.53 87.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.23 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.21 -40.95 95.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.77 -41.36 83.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.277 174.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -58.1 -45.52 87.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.167 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -104.38 22.2 15.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.201 -176.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 59.2 t-80 -65.53 133.64 95.31 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.221 -176.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 77.0 Cg_exo -54.18 -33.41 74.61 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.771 1.647 . . . . 0.0 111.105 -174.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -93.01 12.32 24.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.186 -171.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.14 156.1 41.53 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.209 176.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -55.59 -32.11 81.82 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.695 1.597 . . . . 0.0 111.21 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.8 p -99.3 21.92 11.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.02 143.37 48.63 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -150.93 97.1 2.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 111.23 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.5 m -58.99 -41.49 87.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.18 -173.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.23 -55.02 40.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.226 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.25 -32.03 70.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -58.48 -36.6 74.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.209 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -75.19 -36.38 61.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 174.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.56 -42.76 95.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 pt -72.04 -22.03 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.1 m -72.99 -37.68 66.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -65.59 -41.62 92.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 168.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.94 -45.59 78.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.256 175.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 56' ' ' ASN . 59.8 t80 -60.06 -58.08 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 178.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -53.84 -47.44 70.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.4 mt -66.16 -43.0 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.158 -178.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.453 ' HB3' HD13 ' A' ' 22' ' ' LEU . 96.7 mt -89.65 -8.89 51.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -173.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.7 t30 -78.23 -53.92 6.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.188 174.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -66.82 115.81 28.72 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 173.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -52.24 -35.8 65.0 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.698 1.599 . . . . 0.0 111.112 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -68.32 -46.84 69.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.123 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -68.31 -36.21 78.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.221 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -59.99 -46.26 90.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -63.37 -41.65 98.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.58 -41.84 89.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.28 -50.96 70.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.22 174.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.58 -34.64 78.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.254 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -87.64 -41.27 13.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.297 -174.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -118.21 -46.23 2.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 -165.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.69 -175.56 20.45 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 171.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.509 HD23 ' C ' ' A' ' 69' ' ' LEU . 8.0 tt -65.36 -54.49 28.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.8 0.333 . . . . 0.0 111.179 -171.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -59.78 -33.3 71.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.24 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.53 -40.46 97.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.229 173.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 177.678 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.833 0.349 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -68.34 -62.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -109.04 145.5 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.194 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.4 p -118.97 7.11 11.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.231 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.58 -52.89 63.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.258 -174.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.47 -34.0 77.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.252 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -69.66 -36.0 75.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.179 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -71.77 -35.56 70.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.37 -38.82 92.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 26' ' ' TYR . 79.6 mt -83.67 -28.5 28.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 177.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.51 43.86 8.25 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p -142.26 140.98 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 111.214 -175.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.2 t -63.95 143.35 98.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.62 -12.23 28.9 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 121.616 1.544 . . . . 0.0 111.158 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.8 p -73.43 -15.21 61.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 174.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 21' ' ' GLU . . . -73.63 148.36 42.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.168 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.1 p30 -83.42 174.56 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.244 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.3 mp0 -60.16 -31.2 69.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.88 -44.27 73.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.218 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 80.0 mm-40 -73.65 -32.14 63.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 178.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.441 HD13 ' HB3' ' A' ' 55' ' ' LEU . 94.0 mt -65.79 -36.16 82.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 175.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.33 -44.87 95.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 172.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -57.67 -38.28 74.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.66 -44.82 93.86 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.412 ' HA ' HD22 ' A' ' 11' ' ' LEU . 64.2 t80 -62.71 -47.09 85.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.769 0.318 . . . . 0.0 111.252 177.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -52.44 -43.25 64.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.61 -54.39 32.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.153 175.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.94 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.0 98.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.265 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.68 -40.74 76.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.26 -43.88 88.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.255 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -107.72 16.83 23.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -51.98 137.01 36.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 -176.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -51.92 -35.23 59.36 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.621 1.547 . . . . 0.0 111.244 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -89.26 -8.07 54.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.28 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -68.25 124.43 89.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.23 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -52.85 -36.77 75.56 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.727 1.618 . . . . 0.0 111.152 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.0 p -113.11 35.32 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.233 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.29 -162.98 37.59 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -161.29 108.85 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 0.0 111.3 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.4 m -63.27 -44.21 95.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.218 -173.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.59 -47.49 85.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -66.65 -36.29 82.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.255 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -58.3 -41.34 84.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.11 -39.35 93.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.99 -44.49 92.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.239 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.5 pt -76.7 -19.65 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 57.7 m -72.85 -37.41 67.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 174.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -63.63 -41.85 98.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.266 168.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.22 -44.13 83.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 174.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -60.04 -59.99 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -54.69 -44.81 73.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 -176.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.3 -46.43 87.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.441 ' HB3' HD13 ' A' ' 22' ' ' LEU . 97.4 mt -88.8 -5.72 57.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.268 -172.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -80.59 -55.4 4.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.2 172.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -68.71 115.72 33.54 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.264 173.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -52.28 -35.67 64.95 Favored 'Trans proline' 0 C--N 1.328 -0.544 0 C-N-CA 121.661 1.574 . . . . 0.0 111.153 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -68.37 -45.67 72.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.224 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -70.0 -33.73 72.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.197 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.6 ttp85 -59.39 -45.98 89.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.17 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.77 -42.08 97.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.224 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.4 mt -60.29 -39.89 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.283 177.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -62.6 -50.25 72.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.54 -26.61 67.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 -175.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -96.13 -43.28 7.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 -174.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -111.12 -51.49 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.199 -168.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 139.24 -176.38 21.04 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 173.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.484 HD23 ' C ' ' A' ' 69' ' ' LEU . 8.3 tt -62.35 -53.96 47.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.803 0.335 . . . . 0.0 111.214 -170.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -54.36 -45.64 72.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -175.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.2 -37.91 87.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.245 -177.068 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.79 0.329 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -69.26 -59.83 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -108.38 146.41 33.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.9 p -117.65 8.36 12.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.284 -177.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -55.84 -49.56 72.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.179 -174.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.5 mt -71.54 -31.63 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.227 -175.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -70.51 -33.42 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.243 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -71.93 -36.38 69.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 176.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.8 -41.59 97.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.193 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.3 mt -79.82 -29.45 40.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.229 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.89 42.49 11.04 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.0 p -139.69 142.03 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.873 0.368 . . . . 0.0 111.246 -174.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.0 t -64.03 144.13 98.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.223 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.13 -13.26 35.93 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.701 1.601 . . . . 0.0 111.195 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.7 p -78.4 -10.93 59.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.37 145.34 51.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -84.46 -178.59 6.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -55.17 -48.44 73.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.152 -173.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.08 -40.32 94.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.199 -175.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -70.94 -33.53 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.95 -39.45 94.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.171 173.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.09 -42.5 99.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.246 175.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.62 -40.35 78.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.262 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.1 -45.54 93.8 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 175.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -61.8 -45.01 95.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 111.24 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -58.09 -42.93 86.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.17 -44.9 82.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.09 77.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.203 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.82 82.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.73 -35.99 79.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 173.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.36 -41.71 93.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -124.19 59.89 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.458 ' HB3' ' HB2' ' A' ' 37' ' ' LYS . 55.2 t-80 -72.73 137.9 80.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 -178.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -52.28 -34.87 61.79 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.67 1.58 . . . . 0.0 111.249 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -96.11 9.01 42.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -175.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.458 ' HB2' ' HB3' ' A' ' 34' ' ' HIS . 85.1 tttt -83.26 124.65 75.86 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.57 -16.87 23.92 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.635 1.557 . . . . 0.0 111.187 -174.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.2 p -116.88 18.31 14.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.9 154.89 17.77 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -104.79 114.49 28.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 0.0 111.199 -178.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.4 m -57.45 -35.8 70.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.95 -33.26 75.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -72.17 -34.8 68.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.215 174.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -60.44 -40.93 92.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.245 171.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.82 -42.98 94.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.192 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.84 -47.7 83.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.8 pt -74.04 -23.77 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.259 -177.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.2 m -71.27 -39.33 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.24 175.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -63.73 -43.93 95.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.287 170.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.93 -45.63 86.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.62 -56.73 17.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -54.8 -49.51 70.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.225 -176.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.31 -42.01 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.254 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -86.93 -9.27 56.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.275 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -80.81 -55.57 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.23 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -63.61 116.48 26.51 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -51.98 -35.09 59.44 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.685 1.59 . . . . 0.0 111.208 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -67.84 -58.18 5.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.17 -35.96 78.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.234 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -60.01 -49.94 75.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.285 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -62.43 -39.27 92.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.2 -44.08 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.271 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -63.01 -50.7 69.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -61.23 -36.21 79.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 -175.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -87.43 -41.04 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -116.85 -45.43 2.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 -165.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.54 -175.46 18.98 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 173.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.4 tp -64.47 -46.27 83.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.766 0.317 . . . . 0.0 111.177 -172.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.55 -47.77 57.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.38 90.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.107 179.518 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.773 0.32 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -68.56 -58.06 4.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -117.55 147.38 42.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.3 p -122.84 10.55 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.236 -178.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.6 -50.24 72.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.222 -175.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.07 -33.17 74.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 -177.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -68.4 -36.39 79.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.285 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.41 -36.8 74.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.234 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.59 -40.18 96.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 176.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.5 mt -80.06 -28.79 39.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.44 43.13 8.09 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.7 p -144.68 135.47 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.221 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.4 t -69.66 142.43 91.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -69.47 -13.93 36.18 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 121.646 1.564 . . . . 0.0 111.186 176.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.5 p -78.0 -11.42 59.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.261 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.34 149.6 47.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -79.77 -179.53 6.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.161 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -61.35 -44.46 97.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 -169.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -68.07 -39.01 83.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.163 -177.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -69.89 -33.0 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.231 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.31 -41.38 96.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.271 173.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.09 -38.63 83.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.24 -41.57 93.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 174.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.93 -38.32 94.1 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -61.09 -44.7 96.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.821 0.344 . . . . 0.0 111.183 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -76.44 -37.31 57.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 -177.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -55.8 -55.58 30.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.81 99.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.249 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.55 85.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.9 mt -76.2 -35.28 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.02 -40.05 79.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.197 -176.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -116.7 26.28 9.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.218 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.9 t-80 -52.23 136.07 40.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 -175.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 99.7 Cg_exo -53.9 -35.68 80.79 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.723 1.615 . . . . 0.0 111.238 -177.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -92.54 6.25 47.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.276 -174.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -83.34 128.86 62.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -52.74 -37.87 76.46 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.586 1.524 . . . . 0.0 111.195 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.2 p -115.37 37.43 3.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.233 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.33 -161.66 37.62 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 176.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -159.98 108.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 111.165 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.8 m -64.27 -42.16 96.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -174.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.22 -40.56 94.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -70.39 -36.35 74.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.187 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.42 ' HA ' HG12 ' A' ' 48' ' ' ILE . 74.2 t80 -58.55 -41.59 85.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 176.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -63.9 -38.66 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.5 -45.37 91.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.227 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.42 HG12 ' HA ' ' A' ' 45' ' ' PHE . 44.3 pt -78.3 -18.45 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.206 -178.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.2 m -67.13 -41.02 86.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 172.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -65.3 -42.76 92.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 171.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.37 87.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 175.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.24 -60.26 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.22 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -55.37 -48.72 73.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.192 -175.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.71 -42.57 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -89.94 -8.07 52.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.283 -176.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -79.21 -53.4 7.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.177 172.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -64.97 116.69 31.99 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 174.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -52.21 -36.61 67.87 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.745 1.63 . . . . 0.0 111.192 -177.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -67.91 -51.1 51.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -66.73 -33.48 75.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -58.04 -48.95 78.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -68.96 -38.3 79.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.188 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.27 -40.07 84.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.172 176.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -61.71 -48.11 82.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.201 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -83.83 0.15 48.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.213 -171.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -119.46 -44.22 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -101.83 -45.77 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.283 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.57 177.37 14.85 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.01 -50.19 74.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 111.196 -177.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -47.6 -47.53 28.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.195 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.49 -56.2 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.212 -174.409 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.846 0.355 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -73.67 -59.88 2.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -111.14 147.25 35.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.7 p -119.88 9.01 11.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.71 -51.54 68.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.231 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.9 -32.09 72.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.206 -176.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -69.38 -35.52 75.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.95 -35.33 74.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.02 -41.56 98.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.148 175.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.8 mt -78.56 -28.43 45.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.35 41.97 9.68 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -144.61 138.34 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.755 0.312 . . . . 0.0 111.219 -176.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.1 t -65.55 141.07 97.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.203 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.68 -11.57 26.12 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.722 1.614 . . . . 0.0 111.102 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.2 p -72.97 -17.15 61.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.268 175.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.73 157.91 24.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.168 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -81.52 179.13 7.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -69.06 -30.2 68.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -171.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -63.29 -39.87 95.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.71 -35.44 72.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.5 -38.19 90.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 177.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.6 -48.0 82.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -63.32 -34.11 76.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.225 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.98 -45.59 93.57 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.276 -0.729 . . . . 0.0 111.276 173.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.33 -46.3 90.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.135 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -55.96 -42.31 76.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.194 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.89 -45.89 76.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.252 177.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.64 81.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.11 96.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.26 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.99 -40.74 91.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 173.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.48 -44.71 85.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -107.29 24.45 12.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.286 -177.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.76 133.07 94.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.175 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -54.32 -33.67 77.09 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.629 1.553 . . . . 0.0 111.186 -174.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -92.97 11.89 25.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.268 -171.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -111.45 156.8 40.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.225 176.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -55.86 -31.76 82.4 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.757 1.638 . . . . 0.0 111.244 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.8 p -99.37 19.89 14.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.37 142.73 48.47 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -153.82 104.11 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 111.203 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.9 m -60.27 -43.06 96.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -173.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.16 -51.07 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.92 -32.14 70.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.61 -40.16 96.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.278 176.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.56 -38.89 88.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.44 -45.99 91.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 pt -74.44 -25.07 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.7 m -70.42 -39.92 74.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 175.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -62.52 -47.86 82.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.196 170.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.55 -45.58 73.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.269 177.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' ASN . 61.3 t80 -59.99 -54.97 39.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.148 177.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -52.03 -48.04 64.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.238 -177.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.4 mt -67.3 -43.71 87.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.144 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.9 mt -86.85 -6.9 58.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.208 -174.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.5 t30 -81.77 -57.16 3.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.278 173.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -63.81 116.69 28.72 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.232 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -51.79 -36.89 64.23 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.733 1.622 . . . . 0.0 111.152 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -68.26 -47.63 67.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.2 -37.33 80.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.228 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -60.02 -46.72 88.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -63.36 -40.44 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.312 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.17 -43.86 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.222 176.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -62.89 -50.88 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.196 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.23 -37.17 82.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.26 -176.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -85.81 -39.27 17.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 -173.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -118.24 -45.44 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 -167.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 126.68 -175.86 17.8 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 173.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.37 -44.5 96.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.776 0.322 . . . . 0.0 111.135 -173.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -49.45 -50.32 41.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.291 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.43 90.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 -179.037 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.787 0.327 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -65.12 -56.62 11.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -112.85 145.97 39.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.207 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.6 p -116.44 5.74 13.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -54.92 -53.0 61.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.2 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.72 -31.92 71.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 -175.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -70.97 -34.11 71.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 177.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.31 -36.1 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 176.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.25 -41.38 98.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.228 176.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.2 mt -79.83 -28.99 40.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 178.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.14 43.27 9.83 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 p -141.37 142.91 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.346 . . . . 0.0 111.103 -173.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -62.42 143.21 96.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -70.89 -12.06 30.23 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.647 1.565 . . . . 0.0 111.194 178.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.7 p -76.32 -12.64 60.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.23 147.09 44.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.5 p30 -87.22 175.12 8.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 176.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -58.47 -32.54 68.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 -171.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.67 -44.16 74.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.197 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -73.82 -31.32 63.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.65 -36.63 84.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.67 -44.79 93.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 172.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.18 -40.25 81.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.85 -44.95 95.66 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.66 -46.29 90.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.737 0.303 . . . . 0.0 111.145 177.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -55.93 -41.95 75.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.213 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.28 -46.79 75.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.11 -35.05 79.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.234 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.04 95.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.227 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.71 -40.9 92.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 173.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.26 -44.97 84.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.218 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -107.71 25.22 11.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 -177.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.15 132.17 95.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -176.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -54.45 -33.93 79.5 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 C-N-CA 121.694 1.596 . . . . 0.0 111.19 -174.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -92.64 9.64 33.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 -170.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.51 157.61 36.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -55.84 -31.56 81.49 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.715 1.61 . . . . 0.0 111.178 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.8 p -98.9 19.38 15.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.232 -176.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.31 142.41 48.36 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -153.65 104.03 2.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.904 0.383 . . . . 0.0 111.273 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.0 m -60.0 -42.08 93.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.215 -173.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.39 -51.51 69.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.99 -33.08 71.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.151 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -63.0 -40.59 98.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.215 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.46 -43.31 99.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 175.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -59.35 -46.42 88.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.15 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.1 pt -74.3 -24.23 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.27 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.4 m -71.71 -38.75 70.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 175.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.74 -44.33 93.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.248 170.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.82 85.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 176.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' ASN . 48.5 t80 -59.85 -59.34 5.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 178.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -54.03 -49.45 68.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 -175.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.7 -41.43 92.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.225 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.5 -11.13 46.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -175.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.9 t30 -78.31 -53.28 7.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 176.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -65.68 115.87 26.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -52.38 -36.16 67.88 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 121.689 1.592 . . . . 0.0 111.28 -177.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -68.81 -46.61 68.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.75 -36.44 78.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -61.96 -47.18 86.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.237 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -61.97 -38.22 87.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.242 179.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.46 -48.96 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.19 174.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -59.63 -48.53 81.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -64.08 -32.55 74.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -104.66 -67.72 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -175.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -71.27 -39.94 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -170.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.68 175.66 14.27 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.31 -45.88 71.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.735 0.302 . . . . 0.0 111.227 -174.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -48.75 -48.33 40.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.61 -41.74 95.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.223 -179.339 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 CA--C 1.523 -0.087 0 CA-C-O 120.778 0.323 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -72.01 -61.06 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -109.31 147.15 33.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.292 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.7 p -119.48 8.56 11.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.5 -51.12 69.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -174.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.26 -32.18 72.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.26 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -70.18 -34.49 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.37 -35.92 73.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 176.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.24 -41.59 98.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 176.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -78.55 -29.53 46.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.215 178.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.83 41.94 10.26 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.3 p -143.74 139.62 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 0.0 111.163 -176.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.2 t -64.05 143.93 98.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.3 -11.15 28.3 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.676 1.584 . . . . 0.0 111.22 178.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.3 p -76.46 -11.73 59.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.255 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.62 149.52 45.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -83.29 -178.6 7.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.72 -44.14 96.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -170.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -68.14 -39.32 82.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -67.98 -36.44 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.58 -39.86 95.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 174.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.67 -43.69 98.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 174.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.32 -38.87 81.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.222 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.21 -46.23 93.07 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -60.23 -46.28 90.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 111.216 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -57.16 -41.98 80.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.93 -45.5 81.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 177.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.48 -36.09 82.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.24 96.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.14 -40.73 90.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 173.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.36 -44.65 84.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.187 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -107.11 24.02 13.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.301 -177.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -65.8 132.91 94.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.239 -177.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -54.08 -33.96 75.9 Favored 'Trans proline' 0 C--N 1.328 -0.543 0 C-N-CA 121.672 1.581 . . . . 0.0 111.208 -174.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -92.35 9.95 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 -170.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.18 156.81 38.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 176.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -55.88 -31.73 82.44 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.755 1.637 . . . . 0.0 111.198 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.6 p -99.36 19.7 15.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -176.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.13 142.6 48.5 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -153.82 103.94 2.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.821 0.343 . . . . 0.0 111.147 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.5 m -59.97 -43.37 95.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -173.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.98 -51.09 71.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.298 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.96 -31.96 69.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -62.74 -39.99 95.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.74 -38.65 87.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.247 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.49 -46.04 91.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 pt -74.22 -25.32 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.5 m -70.51 -39.99 73.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.203 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.58 -47.54 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.259 170.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.09 -46.15 71.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.22 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.404 ' O ' ' N ' ' A' ' 56' ' ' ASN . 67.8 t80 -60.0 -54.12 49.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 177.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -52.13 -48.55 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.215 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.6 mt -66.36 -43.49 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -178.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.89 -6.91 58.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.195 -174.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.7 t30 -81.68 -56.7 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.225 173.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -64.36 116.29 26.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.162 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -52.04 -36.49 65.5 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.663 1.575 . . . . 0.0 111.196 -177.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -66.19 -53.37 38.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.79 -37.34 87.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.131 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.2 ttp85 -60.24 -48.06 83.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.184 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.83 -39.69 95.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 93.2 mt -60.81 -43.64 95.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.235 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.54 -51.14 68.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.195 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.57 -36.35 80.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 -175.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -86.46 -39.93 15.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -117.64 -46.39 2.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -166.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.18 -174.12 19.7 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 173.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.77 -44.46 89.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.18 -172.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -60.37 -34.83 74.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.034 -177.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.7 -41.08 72.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.194 174.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.192 178.289 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.8 t . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.867 0.365 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.55 -64.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -176.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -98.24 149.36 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.2 p -127.72 2.73 6.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.189 -176.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.9 -51.65 68.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.233 -173.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.98 -33.03 74.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -69.78 -36.42 75.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -71.11 -36.14 72.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.67 -39.03 92.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 26' ' ' TYR . 82.0 mt -80.96 -30.26 35.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.79 42.42 9.87 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.1 p -143.64 141.79 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 111.156 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p -72.07 154.54 92.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -175.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.22 -12.02 25.27 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.711 1.608 . . . . 0.0 111.235 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.7 p -74.77 -13.2 60.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 21' ' ' GLU . . . -71.47 143.82 49.9 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.177 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.4 p30 -84.75 -179.65 7.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.22 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -59.19 -35.48 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 -173.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -70.08 -43.18 71.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 80.8 mm-40 -72.96 -32.37 65.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.159 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.38 -38.53 91.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 173.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.67 -43.59 97.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.168 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -58.44 -40.93 83.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.88 -43.82 96.42 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 175.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.415 ' HA ' HD22 ' A' ' 11' ' ' LEU . 42.7 t80 -61.91 -45.73 92.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 111.22 177.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -57.97 -42.98 86.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.229 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -67.62 -44.74 77.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.16 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.36 -36.84 85.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.232 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.86 97.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.93 -40.95 83.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.15 -44.2 87.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -107.07 24.72 12.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.219 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 59.3 t-80 -66.0 133.94 94.9 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -177.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 79.2 Cg_exo -54.03 -33.46 73.32 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.72 1.614 . . . . 0.0 111.248 -174.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -93.16 13.01 22.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.266 -171.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.87 156.06 42.27 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.25 176.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -55.85 -31.96 83.09 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.669 1.579 . . . . 0.0 111.183 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.2 p -99.39 21.5 11.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.37 143.73 48.67 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -151.26 98.32 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 111.183 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.1 m -59.48 -41.98 91.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -172.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.59 -53.55 56.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.183 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -69.48 -31.92 70.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.257 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -58.55 -40.1 82.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.9 -37.51 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.216 174.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.3 -43.05 95.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.164 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.8 pt -73.17 -24.68 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.7 m -69.38 -39.27 78.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 172.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.58 -42.54 95.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.284 170.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.12 83.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 175.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.1 -56.97 15.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -56.05 -50.09 71.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.238 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 86.3 mt -63.29 -45.6 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.177 -175.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 99.1 mt -85.51 -24.0 27.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.219 -170.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -71.01 -46.35 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.241 175.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -66.87 115.61 26.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.248 174.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -52.18 -35.42 62.84 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.699 1.599 . . . . 0.0 111.206 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.06 -58.45 4.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.1 -32.8 74.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.186 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -59.95 -49.33 78.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 176.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.2 -39.09 93.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.174 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.97 -42.56 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.73 -49.99 70.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.01 -37.75 88.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -83.65 -56.85 3.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 -175.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -98.59 -40.33 8.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 -165.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.99 -169.03 19.75 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -67.6 -50.49 58.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 111.235 -170.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -61.65 -35.15 77.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.222 -173.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.93 -41.7 91.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.245 173.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 177.851 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.776 0.322 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -71.45 -63.01 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -96.6 143.28 27.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.209 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -121.57 3.4 10.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.226 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.0 -51.28 69.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -173.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.48 -32.32 72.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.263 -175.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -69.64 -34.65 74.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.252 177.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -71.62 -36.25 70.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.226 177.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.08 -41.28 98.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 177.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.8 mt -80.47 -28.89 37.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.58 43.1 10.57 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.29 141.62 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.35 . . . . 0.0 111.228 -174.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -65.32 144.15 98.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -69.36 -13.44 35.66 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 121.721 1.614 . . . . 0.0 111.228 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.0 p -77.69 -11.12 59.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.3 146.4 48.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.254 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -83.13 -178.45 7.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.228 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.38 -39.85 92.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -171.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -66.74 -41.55 87.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -72.46 -33.5 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.21 -39.76 95.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 173.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.81 -43.24 99.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.204 174.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -57.75 -40.55 79.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.76 -45.32 93.57 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 175.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -62.19 -45.84 91.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 111.242 177.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -57.3 -42.36 81.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.234 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.22 -46.8 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.216 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.29 80.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.41 97.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.82 -40.84 92.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.286 173.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.49 -44.39 84.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.262 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -108.04 25.25 11.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.261 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -65.42 132.29 95.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.245 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -54.4 -33.9 78.83 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.734 1.623 . . . . 0.0 111.224 -174.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -92.66 9.45 34.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.152 -170.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.23 157.59 36.73 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.209 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -55.99 -31.35 81.86 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.654 1.569 . . . . 0.0 111.237 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.4 p -99.2 19.84 14.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 -176.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.9 141.95 48.3 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -153.52 104.09 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.219 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.9 m -60.11 -42.16 94.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.215 -173.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.27 -51.42 70.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.277 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.08 -33.16 71.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -62.84 -40.32 97.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 176.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.92 -42.92 99.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.269 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.61 -46.26 89.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 -177.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.0 pt -74.13 -24.53 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.251 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.5 m -71.04 -38.99 72.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 175.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -63.35 -43.89 96.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 170.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.64 86.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.0 -56.29 23.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -55.79 -49.87 72.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.189 -176.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.82 -40.94 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.274 -177.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.6 mt -88.17 -5.65 58.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.258 -177.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -82.68 -58.95 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 172.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -61.43 117.24 25.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -52.2 -36.6 67.65 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.668 1.579 . . . . 0.0 111.231 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -68.7 -44.44 73.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.46 -35.36 68.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.7 ttp-105 -64.83 -44.22 90.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.195 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -62.32 -44.29 96.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.93 -42.99 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.272 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -62.11 -51.18 68.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.82 -36.13 80.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 -176.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -87.19 -67.82 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.244 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -80.33 -51.29 9.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -168.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.8 -172.3 22.9 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.48 -47.73 62.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 111.252 -172.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -56.24 -41.96 76.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.279 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.74 -42.26 91.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.19 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.248 -178.735 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.814 0.34 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -51.42 46.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.205 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -119.26 145.06 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.235 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.5 p -116.49 8.38 13.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.225 -176.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.8 -49.04 74.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -174.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.86 -30.48 64.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.277 -175.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -71.79 -32.97 68.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.233 177.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.1 -36.4 72.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.73 -42.82 99.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.198 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.9 mt -79.04 -29.61 43.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.227 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.42 43.43 9.4 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -141.95 142.4 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.762 0.315 . . . . 0.0 111.243 -174.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.433 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 31.2 t -62.49 138.68 96.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 -176.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 76.9 Cg_exo -55.0 -27.14 53.0 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.644 1.562 . . . . 0.0 111.233 175.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.0 p -70.74 -16.28 62.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -176.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.99 144.91 53.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -85.59 174.81 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 177.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -58.27 -32.45 68.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 -171.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -68.82 -44.5 73.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -73.89 -31.18 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.235 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.1 mt -65.67 -37.1 85.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.14 -44.6 94.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.26 172.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.07 -41.02 82.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.236 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.94 -44.96 95.79 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -60.22 -47.37 86.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 111.217 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -56.78 -41.98 78.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.184 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.54 -46.27 80.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.158 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.97 -34.6 78.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.37 96.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.0 mt -70.42 -41.45 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 174.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -58.26 -41.96 85.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.224 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -110.67 30.38 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 42.7 t-80 -56.98 123.82 61.67 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.235 -176.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 89.9 Cg_exo -56.52 -34.49 95.17 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.715 1.61 . . . . 0.0 111.221 -172.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -88.68 2.22 53.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 -169.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -103.08 147.2 33.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.091 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.33 -14.22 25.43 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.693 1.596 . . . . 0.0 111.242 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.2 p -107.6 12.11 27.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.202 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.4 -164.23 35.9 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -160.67 106.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 111.098 -178.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.9 m -63.48 -43.26 97.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.219 -174.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.43 -47.97 83.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -66.8 -36.83 83.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -56.22 -43.01 78.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 175.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.47 -39.46 94.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 176.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.67 -44.79 89.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.5 pt -75.39 -23.01 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.3 m -71.18 -39.48 71.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 174.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.36 -48.1 82.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 169.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.87 -45.44 74.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.188 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' ASN . 54.7 t80 -60.01 -55.24 36.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 178.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -51.82 -47.66 64.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.23 -176.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.4 mt -67.15 -42.77 88.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -87.88 -6.07 58.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -174.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.9 t30 -80.85 -57.33 3.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.253 174.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -65.66 116.11 28.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 174.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -52.09 -35.96 64.02 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.737 1.624 . . . . 0.0 111.238 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -68.05 -46.07 72.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -67.93 -35.48 78.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.185 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.4 ttp85 -61.37 -45.18 95.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.209 176.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -62.57 -37.36 85.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.247 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.79 -45.79 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 175.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -65.78 -54.29 29.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -57.5 -39.0 75.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.238 -176.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -84.26 -54.75 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.197 -175.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -100.44 -43.14 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.216 -167.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.02 -178.15 17.24 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.9 -44.61 95.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.784 0.326 . . . . 0.0 111.22 -174.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -50.59 -45.85 57.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.267 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.03 87.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 177.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.238 179.112 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.876 0.37 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -77.99 -39.84 41.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.259 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -122.51 141.83 51.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.232 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.8 p -121.07 11.25 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.195 -179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -56.28 -48.12 77.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.188 -174.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.47 -32.45 68.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.163 -176.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -68.86 -34.45 75.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.196 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.61 -35.93 73.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.188 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.3 mt -61.41 -41.21 96.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 175.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.7 mt -79.61 -27.94 41.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.211 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.5 42.26 10.46 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.9 p -144.4 138.92 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.741 0.305 . . . . 0.0 111.258 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.2 t -64.22 143.88 98.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.83 -10.4 26.28 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.725 1.617 . . . . 0.0 111.177 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.9 p -77.43 -11.82 59.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.246 173.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.45 151.83 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.268 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -83.23 179.2 7.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.193 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.9 -40.9 98.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 -169.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -67.27 -39.74 86.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.33 -36.08 78.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.61 -39.79 95.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 175.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.05 -43.84 97.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.32 -38.41 80.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.2 -46.15 93.16 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 174.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -60.75 -46.34 90.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 111.206 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.55 -42.08 77.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.75 -46.3 79.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.229 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.9 -35.83 81.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.5 97.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.01 -40.62 91.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 173.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.28 -44.62 84.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -107.59 23.97 13.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.238 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -65.61 132.7 95.03 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -176.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -54.3 -33.95 78.11 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.722 1.615 . . . . 0.0 111.216 -174.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -92.48 9.62 33.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.226 -170.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.05 157.28 37.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.178 176.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -55.85 -31.63 81.81 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.654 1.569 . . . . 0.0 111.248 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.3 p -99.19 20.17 13.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.226 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.98 142.43 48.49 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -153.28 103.66 2.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.767 0.318 . . . . 0.0 111.234 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.5 m -59.78 -42.15 92.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 -173.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.31 -51.96 67.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.227 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.97 -33.89 72.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.188 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -62.44 -40.69 97.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.126 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.98 -43.13 99.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 175.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.62 -46.68 88.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.204 -177.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 pt -73.66 -25.11 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.0 m -70.98 -40.11 72.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.182 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -62.36 -47.32 84.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.26 170.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.78 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' ASN . 67.2 t80 -59.61 -53.48 57.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -52.88 -48.34 67.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.215 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.93 -42.22 88.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -86.54 -7.0 58.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 -174.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.9 t30 -81.51 -57.94 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 173.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -64.19 116.78 30.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 175.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -52.41 -36.18 68.35 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.666 1.578 . . . . 0.0 111.128 -177.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -68.8 -43.4 75.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.04 -36.56 69.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.181 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.8 ttp-105 -63.97 -44.02 94.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.216 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -57.48 -50.34 73.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.212 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.27 -41.08 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -59.75 -55.52 33.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.203 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -71.1 -28.98 64.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 -175.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -80.9 -39.81 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 -176.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -120.15 -48.62 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.188 -170.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 140.2 -178.8 19.6 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.5 tp -62.68 -49.99 72.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 111.233 -175.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -61.59 -32.23 72.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -176.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.33 84.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.241 172.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.224 177.379 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.834 0.349 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -68.63 -59.19 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -109.27 146.63 33.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.282 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.1 p -115.23 5.18 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.162 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.38 -50.73 61.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.22 -173.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.7 mt -72.24 -32.68 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 -175.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -69.24 -33.58 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.19 175.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -74.38 -34.59 63.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.217 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.23 -41.57 98.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 174.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.2 mt -78.78 -29.51 45.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 178.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.68 43.17 9.32 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 p -140.71 142.88 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 111.193 -174.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -61.76 142.78 94.55 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -70.78 -12.91 31.64 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.728 1.619 . . . . 0.0 111.166 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.0 p -78.4 -11.62 59.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.5 147.43 46.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.271 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -87.17 174.92 8.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -58.21 -32.64 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 -171.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.14 -44.55 75.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.175 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -74.41 -31.07 62.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.0 mt -65.57 -36.86 85.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 175.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.13 -44.4 94.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.218 172.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.3 -40.33 81.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.207 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.94 -44.87 95.85 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.58 -46.3 90.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 111.135 177.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -56.52 -42.43 78.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.38 -45.8 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.11 85.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.0 95.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.264 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.23 -41.29 90.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.249 174.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -57.5 -45.74 84.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -104.46 22.65 14.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.8 t-80 -65.59 133.38 95.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 -176.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 80.4 Cg_exo -54.32 -33.62 76.89 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.714 1.61 . . . . 0.0 111.149 -174.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -93.08 12.11 25.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.181 -171.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.41 156.5 41.15 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -55.96 -31.78 83.24 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 121.698 1.599 . . . . 0.0 111.122 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.5 p -99.43 21.4 12.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.152 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.23 142.48 47.71 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -152.07 100.69 2.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 111.163 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.9 m -59.88 -42.24 93.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.237 -173.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.6 -52.19 66.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -69.67 -33.18 72.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -60.46 -40.05 89.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.17 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.17 -39.23 78.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.242 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.79 -43.81 97.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.9 pt -74.47 -24.82 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 61.8 m -70.09 -40.14 75.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.96 -47.89 81.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 170.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.8 -45.64 70.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ASN . 57.5 t80 -59.63 -55.3 36.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 178.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -52.38 -48.0 65.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -176.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.27 -42.76 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.268 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -87.48 -6.37 58.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.237 -174.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.0 t30 -80.76 -56.68 3.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 174.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -66.76 116.09 31.38 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 174.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -52.44 -35.3 65.13 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.715 1.61 . . . . 0.0 111.213 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -70.47 -43.69 69.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.154 -177.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.4 -38.52 81.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.208 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -62.03 -44.94 95.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -54.34 -46.86 73.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.18 -45.58 92.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -62.46 -50.34 71.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.187 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -60.55 -37.38 81.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 -175.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -87.16 -38.84 16.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 -173.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -117.09 -45.17 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -167.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.68 -177.12 16.93 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 174.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.4 tp -64.25 -45.03 89.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.868 0.366 . . . . 0.0 111.211 -174.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.35 -47.5 47.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.257 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.37 89.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 178.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.266 179.608 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.743 0.306 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.54 -61.09 1.9 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.211 -176.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -110.28 148.1 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.201 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.9 p -118.06 4.85 12.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.23 -51.6 57.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.258 -172.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.9 mt -71.48 -33.35 69.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -175.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -68.19 -34.33 76.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.134 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -73.95 -34.57 64.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.37 -40.95 98.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 175.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.1 mt -79.92 -29.15 39.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.208 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.61 43.34 9.28 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.1 p -141.58 142.04 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.908 0.385 . . . . 0.0 111.1 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.5 t -61.98 142.69 95.15 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.32 -11.16 26.5 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.731 1.621 . . . . 0.0 111.254 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.1 p -76.44 -12.19 60.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.209 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.87 147.17 45.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.185 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -85.97 176.01 8.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -58.97 -32.79 69.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 -172.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -68.31 -44.11 76.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.205 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -74.44 -31.19 62.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.203 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.23 -36.96 85.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.22 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.57 -44.82 93.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.255 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.19 -39.39 78.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.266 176.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.57 -44.74 95.35 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 175.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -61.88 -45.11 95.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 111.226 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.33 -42.18 77.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.06 -46.33 74.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.254 177.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.46 80.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.236 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.26 96.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.87 -40.66 91.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.282 173.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.28 -44.88 84.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -107.51 25.1 11.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.202 -177.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -66.12 133.04 94.62 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.24 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -54.09 -33.88 75.66 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.706 1.604 . . . . 0.0 111.231 -174.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -92.76 11.26 27.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.255 -171.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -110.85 156.75 40.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 176.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -55.89 -31.63 82.15 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.633 1.556 . . . . 0.0 111.24 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.3 p -99.42 19.53 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.2 -176.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.28 142.5 48.41 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -154.28 104.63 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.249 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.8 m -60.55 -43.11 97.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -173.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -58.15 -50.74 72.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.228 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.95 -31.66 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -62.78 -40.18 96.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.269 176.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.85 -38.89 90.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.197 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.51 -46.09 91.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.0 pt -74.53 -23.42 18.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.1 m -71.42 -39.16 71.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 176.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -64.81 -42.95 94.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.2 170.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.23 -45.04 84.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.208 175.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' A' ' 56' ' ' ASN . 52.6 t80 -59.99 -59.17 5.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.214 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -53.56 -46.91 70.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -175.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 90.8 mt -67.69 -41.17 85.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -177.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.3 mt -88.58 -7.96 55.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.217 -176.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.1 t30 -80.5 -56.11 4.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.271 175.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.4 120.31 57.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.169 174.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -54.56 -40.25 84.7 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.735 1.623 . . . . 0.0 111.234 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -70.11 -43.4 71.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.255 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.07 -39.33 93.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -62.83 -45.55 92.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 177.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.61 -47.68 81.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.165 175.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.8 mt -58.98 -41.8 84.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -60.85 -50.76 72.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.52 -35.64 78.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 -177.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -85.26 -41.24 15.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.226 -174.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -117.75 -44.92 2.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.222 -166.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 126.81 -172.25 18.4 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 173.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.02 -51.78 68.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 111.257 -172.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.48 -48.54 56.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -172.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.62 -47.99 73.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -177.141 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.807 0.336 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.9 t -109.85 112.18 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -82.68 -81.78 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -78.97 142.47 36.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.3 p -118.57 6.2 11.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.21 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -51.03 -52.72 40.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.117 -173.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.6 mt -69.12 -34.22 74.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.129 -174.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -69.03 -33.96 74.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.191 176.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -73.48 -34.21 65.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.255 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.01 -42.07 98.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 174.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -78.59 -29.46 46.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.197 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.6 43.06 9.48 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 p -142.42 142.27 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.837 0.351 . . . . 0.0 111.104 -174.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.7 t -60.65 142.22 91.72 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.82 -10.82 25.32 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.759 1.639 . . . . 0.0 111.175 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.8 p -74.88 -13.47 60.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.247 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.81 145.85 48.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 178.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.2 p30 -85.27 176.96 8.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.233 176.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -58.69 -33.81 70.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 -171.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -68.78 -43.87 74.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.21 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -74.12 -31.46 62.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.96 -37.26 87.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.204 174.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.8 -44.39 93.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.184 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.26 -40.49 81.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.244 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.25 -44.71 96.28 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 175.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -60.2 -46.74 88.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.784 0.326 . . . . 0.0 111.183 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.3 -41.6 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 -178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.53 -47.07 77.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.19 177.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.46 -34.92 79.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.201 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.48 -40.35 96.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.192 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.8 -40.83 92.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.175 173.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.33 -44.68 84.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.202 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -107.81 25.04 12.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.181 -177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.5 132.43 95.07 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 -176.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -54.46 -33.9 79.45 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 121.674 1.582 . . . . 0.0 111.266 -174.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -92.44 9.41 34.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.276 -170.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.09 157.52 36.82 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -55.87 -31.67 82.11 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.765 1.643 . . . . 0.0 111.212 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.3 p -99.18 20.01 14.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.231 -176.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.14 142.35 48.42 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -153.37 104.02 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.786 0.327 . . . . 0.0 111.18 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.8 m -60.14 -42.0 93.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.212 -173.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.3 -51.53 69.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.08 -33.71 72.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.54 -40.41 96.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 176.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -62.93 -43.25 99.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.227 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.58 -46.69 88.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.213 -178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.4 pt -74.03 -25.05 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.19 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.3 m -71.05 -38.56 72.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 175.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -63.59 -45.63 89.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 171.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.05 -43.41 86.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.285 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.419 ' O ' ' N ' ' A' ' 56' ' ' ASN . 44.6 t80 -59.97 -58.33 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -57.91 -44.36 86.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 -174.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.18 -42.22 93.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.252 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.9 mt -87.11 -10.48 52.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.182 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 52' ' ' PHE . 50.8 t30 -73.81 -49.79 23.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.252 174.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -67.25 115.35 25.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 172.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_exo -52.94 -35.71 72.23 Favored 'Trans proline' 0 C--N 1.328 -0.531 0 C-N-CA 121.683 1.588 . . . . 0.0 111.241 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -69.13 -44.73 71.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 -177.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -70.88 -35.24 72.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.271 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -62.66 -46.34 88.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.261 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -58.12 -48.24 80.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 175.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.8 mt -59.39 -41.64 85.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -59.64 -50.75 72.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.197 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -61.03 -39.25 89.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.275 -177.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -84.55 -37.04 21.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.244 -171.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -119.74 -46.24 2.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.174 -168.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.38 -173.19 18.63 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.6 tp -61.78 -46.73 88.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 111.183 -172.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -50.1 -52.35 35.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.191 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.9 -39.33 90.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.247 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.26 -38.21 88.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -70.16 -39.02 75.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.4 p -74.94 -24.04 58.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.14 24.86 42.49 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 161.69 149.55 5.67 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -72.92 -20.03 22.71 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.699 1.599 . . . . 0.0 111.18 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.2 p -88.1 160.64 17.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.209 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -133.38 151.11 51.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 167.11 -174.42 42.37 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo . . . . . 0 C--O 1.199 -1.451 0 C-N-CA 121.722 1.614 . . . . 0.0 111.173 179.404 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 120.816 0.341 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t -110.88 101.59 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.2 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -70.38 -59.75 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.23 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -111.32 146.21 37.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.2 p -120.45 9.24 10.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 -177.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -55.19 -51.17 67.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 -175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.43 -33.64 74.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -66.57 -36.77 83.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.222 176.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.37 -34.22 72.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.214 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.4 mt -62.02 -38.31 88.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.19 176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.0 mt -84.37 -23.97 29.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 177.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.72 43.67 8.94 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -145.98 143.52 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.816 0.341 . . . . 0.0 111.185 -176.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.456 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 31.0 t -59.7 138.91 89.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 -177.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 67.3 Cg_exo -55.32 -28.68 63.98 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.775 1.65 . . . . 0.0 111.133 176.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.1 p -77.55 -10.6 59.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 -174.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.04 158.95 32.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.8 p30 -84.53 -176.68 6.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.251 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 22' ' ' LEU . 59.6 mp0 -72.34 -23.53 61.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.211 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -64.16 -40.54 96.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 175.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -74.2 -31.65 62.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 19' ' ' GLU . 80.3 mt -61.37 -39.92 92.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 172.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.93 -43.48 95.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.198 174.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.6 -45.34 94.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.25 177.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.8 -44.53 96.94 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -63.21 -46.03 88.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 111.199 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -58.67 -43.74 90.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.03 -46.62 77.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.223 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.24 -35.73 80.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.216 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.43 -40.38 96.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.36 -41.22 89.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.211 174.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.98 -43.85 86.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -106.58 23.1 14.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.7 t-80 -64.62 132.07 95.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.237 -176.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 79.9 Cg_exo -54.48 -34.0 80.05 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.649 1.566 . . . . 0.0 111.186 -174.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -92.32 9.07 35.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.193 -170.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -108.86 157.48 36.72 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.189 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -55.82 -31.37 80.54 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.644 1.563 . . . . 0.0 111.175 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.4 p -99.23 19.69 14.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -176.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.07 141.2 47.79 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -153.36 103.3 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 0.0 111.194 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.0 m -60.42 -41.97 95.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.211 -173.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.87 -51.71 68.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.04 -33.23 71.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 -179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -62.53 -40.04 95.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.215 175.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.43 -42.84 98.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -59.27 -46.45 88.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 -177.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.2 pt -73.21 -25.11 21.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.207 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.9 m -71.56 -38.84 70.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.243 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -63.63 -44.16 94.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.267 171.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.34 -47.06 84.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -60.19 -54.81 41.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -56.56 -49.47 74.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.38 -41.87 93.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.1 mt -85.43 -15.88 41.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.205 -174.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -74.17 -52.34 12.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -67.69 116.42 37.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.134 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -52.53 -36.55 71.12 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 121.719 1.612 . . . . 0.0 111.235 -178.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -69.32 -43.84 72.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.256 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.12 -35.77 71.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.226 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -63.34 -43.97 96.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 176.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -58.53 -50.56 73.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 91.8 mt -58.51 -41.32 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -60.06 -54.9 40.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -72.09 -25.92 61.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -175.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -82.57 -41.3 19.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -119.23 -45.74 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.245 -170.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.29 179.41 16.42 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.31 -43.62 96.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.771 0.319 . . . . 0.0 111.139 -176.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -48.35 -51.26 27.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.247 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.2 -41.25 90.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.229 178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.32 78.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.181 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -69.49 -37.1 77.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.224 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 60.1 p -69.91 -28.56 65.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.214 175.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.03 7.3 70.55 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 175.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -139.02 154.79 23.5 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -56.42 143.97 85.09 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.644 1.563 . . . . 0.0 111.257 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.3 t -75.53 135.8 40.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 176.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -126.41 70.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.147 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 87.94 -178.81 46.91 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo . . . . . 0 C--O 1.201 -1.351 0 C-N-CA 121.774 1.649 . . . . 0.0 111.226 -178.062 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.782 0.325 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 58.1 t -110.53 105.17 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.233 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -72.61 -61.03 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 -177.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -109.69 148.19 31.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.21 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.1 p -121.09 10.6 10.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.68 -51.89 67.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.218 -175.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.8 mt -68.48 -33.23 73.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.185 -175.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -68.17 -35.73 78.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -70.45 -35.99 73.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.54 -41.05 96.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.203 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.7 mt -80.06 -28.76 39.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.35 42.72 9.08 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 -178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p -141.28 142.76 28.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.351 . . . . 0.0 111.115 -174.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.445 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 29.9 t -60.32 138.58 91.97 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 -178.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 54.1 Cg_exo -56.25 -25.95 58.71 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.731 1.621 . . . . 0.0 111.22 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.3 p -77.19 -10.05 59.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.05 144.73 55.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.189 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.8 p30 -83.51 -179.78 7.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.282 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.42 -47.06 76.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.146 -172.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -65.34 -40.85 94.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.212 -176.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -71.13 -33.36 70.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.59 -38.67 91.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.26 174.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.61 -43.26 99.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.45 -40.94 79.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.175 177.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.24 -45.55 93.98 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 175.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -61.8 -45.41 93.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 111.213 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.62 -42.62 79.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.65 -46.58 75.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.191 178.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.21 -35.65 81.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.183 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.14 -40.45 97.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.187 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.9 mt -65.9 -40.84 91.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.228 173.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.45 -44.69 84.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -107.91 25.18 11.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -65.24 132.35 95.27 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.201 -176.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -54.51 -33.95 80.2 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.716 1.611 . . . . 0.0 111.189 -174.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -92.56 9.57 34.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 -170.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.51 157.59 36.97 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.186 176.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -56.04 -31.41 82.48 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.551 1.501 . . . . 0.0 111.25 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.8 p -99.14 19.91 14.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -176.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.11 142.24 48.4 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -153.46 103.94 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.751 0.31 . . . . 0.0 111.19 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.7 m -60.12 -42.21 94.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -173.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.25 -51.49 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.239 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.01 -33.21 71.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -63.01 -40.21 97.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.74 -43.2 99.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 175.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.34 -46.36 88.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 pt -74.27 -24.63 19.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.2 m -71.16 -39.21 72.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.177 175.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -64.13 -44.15 93.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.216 170.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.28 -46.07 83.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' A' ' 56' ' ' ASN . 61.5 t80 -60.04 -56.74 17.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 178.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -54.31 -47.37 72.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.217 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.1 mt -66.73 -41.09 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.4 mt -87.29 -7.22 58.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -176.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' PHE . 40.1 t30 -81.19 -58.3 3.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 175.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -63.08 117.19 30.7 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 175.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -52.27 -35.92 65.75 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.711 1.607 . . . . 0.0 111.136 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -68.76 -43.93 74.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.274 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.38 -37.61 71.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.244 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 40.0 ttp-105 -64.0 -44.45 92.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.179 177.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.02 -48.47 78.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.7 -43.13 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.275 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -60.16 -50.42 73.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.238 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.87 -36.74 84.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -85.21 -40.23 16.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.214 -173.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -117.01 -45.31 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 -167.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.02 -177.78 17.19 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.88 -48.76 75.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.739 0.304 . . . . 0.0 111.182 -174.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.56 -47.61 57.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.26 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.66 96.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.261 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.64 82.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.248 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -68.31 -40.23 81.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.252 178.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 91.7 p -80.52 -24.73 39.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.7 -17.09 20.89 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.98 -115.9 7.99 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 172.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -52.91 -29.93 45.79 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.751 1.634 . . . . 0.0 111.166 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.506 ' OG ' ' N ' ' A' ' 79' ' ' PHE . 94.5 p -78.59 -95.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.506 ' N ' ' OG ' ' A' ' 78' ' ' SER . 95.9 m-85 -102.55 21.7 14.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 -173.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -99.29 -154.2 28.26 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo . . . . . 0 C--O 1.199 -1.426 0 C-N-CA 121.671 1.58 . . . . 0.0 111.245 179.805 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 2' ' ' VAL . 98.9 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.799 0.333 . . . . 0.0 111.281 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.463 ' N ' ' OG ' ' A' ' 1' ' ' SER . 35.1 m -127.53 162.46 32.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.2 -178.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -69.22 -59.7 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 178.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -108.38 145.7 34.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.238 179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.8 p -117.41 8.2 12.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 -177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.39 -49.34 72.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -174.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.8 mt -72.48 -31.14 65.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 -175.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -70.69 -33.23 70.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 176.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -71.24 -36.4 71.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.13 177.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.52 -42.74 99.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.283 176.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.9 mt -77.98 -29.51 49.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.21 42.54 10.52 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.9 p -141.11 141.7 30.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.714 0.292 . . . . 0.0 111.259 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.6 t -63.75 143.66 98.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.26 -13.65 36.31 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 121.662 1.575 . . . . 0.0 111.282 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.2 p -79.49 -9.98 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.261 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.85 147.75 49.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.207 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -83.45 -178.14 6.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.0 -44.69 94.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.289 -170.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -68.46 -39.72 81.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -67.37 -36.72 81.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.189 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.6 mt -63.72 -40.03 95.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.253 174.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.08 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.189 175.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.32 -39.51 83.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.221 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.36 -45.83 93.78 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -60.42 -46.9 88.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.681 0.277 . . . . 0.0 111.136 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -57.46 -41.95 81.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -177.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.16 -46.39 81.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.23 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.95 -36.09 82.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.201 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.03 96.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.264 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.4 mt -65.82 -41.33 91.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 174.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -57.26 -45.37 84.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -104.65 21.67 16.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.23 -176.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.35 132.77 95.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 -175.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -54.53 -33.83 79.85 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.662 1.575 . . . . 0.0 111.227 -174.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -92.03 9.56 32.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.253 -170.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.17 157.11 38.0 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.218 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -55.96 -31.5 82.14 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.806 1.671 . . . . 0.0 111.215 -179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.8 p -99.4 20.62 13.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.263 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.71 141.26 47.62 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -153.04 102.67 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 111.174 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.4 m -60.3 -41.84 94.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.177 -173.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.91 -52.16 66.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.198 -178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.0 -33.83 72.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.28 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -62.16 -40.42 95.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.43 -42.85 98.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 176.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.07 -45.58 92.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.251 -177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.4 pt -73.85 -25.49 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.5 m -71.42 -39.19 71.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 175.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.82 -48.99 79.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.169 170.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.43 -45.73 80.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.266 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ASN . 65.9 t80 -59.89 -54.18 49.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.21 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -51.62 -48.06 63.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.249 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.7 mt -67.19 -43.03 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.4 mt -86.52 -7.2 58.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 -174.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.7 t30 -81.71 -57.49 3.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 174.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -63.9 116.58 28.04 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.129 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -52.11 -36.73 67.23 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 121.676 1.584 . . . . 0.0 111.185 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -68.56 -47.02 67.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.27 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.89 -37.9 82.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.5 ttp85 -60.68 -48.12 83.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.157 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -61.26 -40.32 93.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.0 mt -61.15 -44.57 98.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -62.51 -50.06 72.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.214 175.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -61.53 -35.86 78.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -175.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -87.68 -41.21 13.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.189 -174.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -115.2 -47.29 2.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.226 -166.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.9 -175.53 19.07 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 174.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.7 tp -64.92 -48.79 72.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.742 0.306 . . . . 0.0 111.121 -172.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.8 -47.08 51.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.245 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.56 92.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.251 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.57 86.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.21 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.5 -35.25 75.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.175 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.0 p -79.81 -24.94 41.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.7 31.82 48.27 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.254 -0.739 . . . . 0.0 111.254 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -145.51 -154.36 6.13 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -176.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -81.29 179.72 5.65 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.745 1.63 . . . . 0.0 111.204 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.4 p -73.22 168.2 19.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.251 177.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -127.89 151.16 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.152 -176.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.52 -162.44 33.95 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo . . . . . 0 C--O 1.201 -1.372 0 C-N-CA 121.703 1.602 . . . . 0.0 111.132 179.389 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.471 ' OG ' ' N ' ' A' ' 2' ' ' VAL . 98.1 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.849 0.356 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.471 ' N ' ' OG ' ' A' ' 1' ' ' SER . 32.1 m -126.99 161.41 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -178.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.64 -49.34 66.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.172 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -121.49 145.28 48.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.2 p -113.91 2.99 15.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -51.64 -50.55 60.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -173.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.8 mt -73.9 -31.97 63.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.289 -174.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -68.5 -33.94 75.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.214 174.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -73.6 -34.64 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.95 -41.76 98.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.222 175.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.428 ' HB2' HG12 ' A' ' 13' ' ' VAL . 80.0 mt -79.38 -29.35 42.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.51 42.85 9.79 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.428 HG12 ' HB2' ' A' ' 11' ' ' LEU . 9.3 p -140.15 142.18 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.759 0.314 . . . . 0.0 111.197 -174.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.417 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 29.6 t -62.43 138.28 96.38 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 -176.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 73.2 Cg_exo -54.85 -27.65 54.2 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.764 1.643 . . . . 0.0 111.23 175.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.0 p -70.58 -16.51 62.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.32 143.85 55.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.6 p30 -84.59 175.97 8.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.212 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 -58.2 -33.34 69.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.194 -171.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.88 -44.37 73.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -74.27 -30.93 62.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.224 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.71 -37.11 85.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 175.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.53 -43.99 96.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.239 172.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.63 -40.52 83.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.49 -44.55 96.63 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 175.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -60.28 -47.29 86.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 111.271 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -56.34 -42.28 77.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.195 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.38 -52.03 66.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 175.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.21 -35.44 80.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.85 -41.1 99.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.206 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 92.2 mt -66.93 -40.24 87.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 174.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.55 -44.51 85.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -107.03 23.39 14.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.199 -176.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.8 t-80 -65.77 133.16 94.97 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.231 -176.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 78.1 Cg_exo -54.12 -33.65 74.96 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.695 1.596 . . . . 0.0 111.181 -174.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -92.89 11.91 25.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -171.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -111.02 156.75 40.37 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.18 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -55.72 -31.97 82.21 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.724 1.616 . . . . 0.0 111.223 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.6 p -99.61 21.66 11.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.07 143.14 48.64 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -152.15 101.6 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.21 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.6 m -59.18 -41.91 89.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.215 -174.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.65 -51.84 68.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.235 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -70.47 -34.7 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.189 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -60.67 -40.44 92.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 176.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.83 -44.22 90.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.223 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.33 -45.09 94.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -176.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.7 pt -74.09 -25.2 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.252 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.7 m -71.78 -39.63 69.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.26 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.4 -45.07 89.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.237 171.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.18 81.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 56' ' ' ASN . 59.3 t80 -59.41 -53.52 57.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.187 178.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -49.45 -49.24 46.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.22 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 90.0 mt -66.74 -43.11 90.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.7 mt -87.43 -5.36 58.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.5 t30 -81.0 -57.29 3.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.207 174.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -65.44 116.49 31.67 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_exo -51.63 -36.58 61.25 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.664 1.576 . . . . 0.0 111.208 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -68.4 -45.43 72.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 -178.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.2 -37.43 80.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -60.39 -47.18 87.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.255 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -61.64 -40.6 95.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.261 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.1 -42.44 95.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 176.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -61.61 -49.45 76.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.15 175.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -63.21 -33.89 76.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.257 -175.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -90.71 -42.47 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -112.85 -46.11 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.254 -167.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.99 -177.61 18.32 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 173.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.477 HD23 ' C ' ' A' ' 69' ' ' LEU . 9.8 tt -58.43 -49.94 75.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.843 0.354 . . . . 0.0 111.26 -174.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -55.04 -40.55 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.74 -45.36 78.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.256 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.79 -39.59 84.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.182 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 68.1 ttt-85 -70.51 -43.7 69.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.229 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.5 m -80.65 -30.54 36.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.88 41.4 7.65 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -154.34 132.64 3.59 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.58 -9.25 21.26 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.676 1.584 . . . . 0.0 111.256 -177.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 93.8 p -76.44 -8.41 57.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.257 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -101.88 167.73 9.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.186 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.42 170.75 26.91 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo . . . . . 0 C--O 1.199 -1.439 0 C-N-CA 121.727 1.618 . . . . 0.0 111.2 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 87.3 p . . . . . 0 CA--C 1.523 -0.092 0 CA-C-O 120.851 0.358 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 66.6 t -105.74 113.55 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -92.67 -60.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -177.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -96.03 142.5 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.219 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.8 p -123.89 10.58 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.226 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -54.6 -51.77 64.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.75 -34.22 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.262 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -69.84 -36.5 75.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.16 -36.41 74.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.9 mt -64.07 -39.01 93.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.123 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 26' ' ' TYR . 87.4 mt -77.19 -30.6 54.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 176.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.12 42.16 9.7 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -143.3 140.75 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 111.182 -175.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -64.45 142.63 98.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.97 -9.91 24.1 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.733 1.622 . . . . 0.0 111.128 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.7 p -71.56 -16.62 62.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.275 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.1 148.09 42.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 178.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 46.7 p30 -84.82 174.64 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.3 mp0 -60.22 -31.83 70.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 -170.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -68.82 -42.69 76.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -74.29 -30.52 62.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.1 mt -66.43 -35.59 80.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 175.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.91 -45.39 90.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 171.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.1 -39.94 83.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.163 176.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.31 -44.06 96.82 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.402 ' HA ' HD22 ' A' ' 11' ' ' LEU . 42.8 t80 -60.06 -46.41 89.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.763 0.316 . . . . 0.0 111.151 177.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -56.47 -42.22 77.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.56 -43.84 79.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.18 86.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.85 -40.74 96.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.258 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.2 mt -68.02 -40.88 82.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 173.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.88 -44.53 86.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.24 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -106.13 22.81 15.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 59.2 t-80 -65.69 133.69 95.16 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.179 -177.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 76.9 Cg_exo -54.02 -33.36 72.81 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.684 1.59 . . . . 0.0 111.172 -174.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -93.04 13.23 21.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 -171.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -112.01 156.12 42.31 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.196 176.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -55.89 -32.06 83.77 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.68 1.587 . . . . 0.0 111.176 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.5 p -99.37 21.64 11.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.192 -177.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.53 143.87 48.72 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -151.18 97.42 2.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.761 0.315 . . . . 0.0 111.223 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.8 m -58.69 -41.35 86.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.244 -173.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.7 -55.37 35.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.11 -32.18 71.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -57.48 -40.33 78.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.233 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -70.85 -37.07 73.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 174.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -65.21 -41.94 93.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.252 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.1 pt -72.89 -25.19 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 69.4 m -69.68 -39.66 76.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.285 173.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.11 -47.7 83.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 169.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.69 -43.35 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 176.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -58.46 -55.95 28.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.106 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -52.77 -50.54 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.234 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.39 -44.76 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.245 -176.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.2 mt -89.01 -11.36 44.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.234 -171.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -77.13 -50.42 13.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.181 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -67.93 115.84 32.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.26 172.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_exo -52.39 -36.59 69.74 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.744 1.629 . . . . 0.0 111.171 -177.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -70.13 -47.7 60.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 -177.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.63 -35.46 78.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -59.5 -46.61 88.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -64.72 -40.6 95.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 86.0 mt -59.11 -43.89 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.225 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -60.01 -50.56 73.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -70.81 -33.15 70.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.229 -173.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -84.59 -36.78 21.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 -175.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -118.97 -46.23 2.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.285 -170.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.18 177.94 15.15 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.8 -44.96 96.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.89 0.376 . . . . 0.0 111.187 -177.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -48.83 -48.83 41.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.24 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.74 92.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.29 -37.19 77.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -178.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -73.19 -34.79 66.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.264 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 72.8 p -77.0 -20.35 56.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.247 178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.64 -5.01 31.01 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.51 146.73 19.65 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -73.68 145.06 36.38 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.802 1.668 . . . . 0.0 111.206 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.9 t 59.36 -158.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.216 -177.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -85.22 77.82 9.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 -175.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.9 -154.21 26.48 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo . . . . . 0 C--O 1.199 -1.444 0 C-N-CA 121.718 1.612 . . . . 0.0 111.227 -178.25 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 CA--C 1.523 -0.087 0 CA-C-O 120.824 0.345 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.1 t -112.05 104.34 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.198 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.66 -60.75 2.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.253 -176.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -109.57 148.37 31.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.179 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.5 p -117.17 4.49 12.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.76 -52.1 57.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 -172.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.73 -33.91 74.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.195 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -68.59 -33.97 74.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.212 176.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -74.29 -33.79 63.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.74 -41.54 99.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.215 174.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.0 mt -77.67 -30.15 51.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.0 42.19 9.77 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -143.39 140.0 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.865 0.365 . . . . 0.0 111.237 -175.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.7 t -63.61 143.33 97.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.95 -10.67 26.53 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.674 1.582 . . . . 0.0 111.169 178.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.9 p -76.84 -11.82 59.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 173.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.8 148.15 46.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -82.58 -178.62 7.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.61 -41.98 95.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -171.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.84 -40.27 83.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -71.43 -33.71 69.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.229 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.95 -39.63 94.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.201 173.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.56 -43.22 99.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.158 174.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -57.71 -41.28 81.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.128 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.79 -45.6 93.3 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -61.27 -47.43 86.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.757 0.313 . . . . 0.0 111.109 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -57.11 -42.0 80.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.106 -177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.88 -47.45 77.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.72 -33.97 75.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.139 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.96 97.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.185 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -72.52 -39.51 67.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.286 174.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.09 -42.31 85.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -110.07 21.09 17.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 -176.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.1 t-80 -51.4 133.93 33.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.249 -173.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 98.2 Cg_exo -54.7 -34.97 86.01 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 121.737 1.625 . . . . 0.0 111.214 -176.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -92.47 4.49 53.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.225 -173.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -82.75 130.54 57.8 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 99.3 Cg_exo -52.34 -37.69 71.82 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.71 1.607 . . . . 0.0 111.194 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.0 p -115.18 36.53 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.17 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -89.39 -164.72 40.43 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -156.46 100.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 111.206 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.3 m -61.87 -42.25 98.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.16 -174.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.97 -48.6 80.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.195 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -66.49 -36.43 82.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.197 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -57.01 -41.94 79.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.81 -39.45 93.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 176.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -63.82 -44.64 92.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.4 pt -75.01 -23.56 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.8 m -70.65 -38.86 73.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 174.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -63.16 -44.29 95.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.254 170.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.53 82.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.243 176.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -60.28 -56.12 25.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.169 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -54.45 -47.74 72.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.179 -176.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 94.0 mt -66.6 -41.97 89.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.226 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.6 mt -87.18 -8.95 56.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 -175.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -81.47 -57.93 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 174.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -61.0 121.25 60.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 175.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -54.02 -42.84 63.52 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.725 1.617 . . . . 0.0 111.167 -175.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -66.46 -50.31 63.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.205 -177.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.22 -39.9 92.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 56.9 ttp85 -60.44 -47.89 84.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -62.43 -39.5 93.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.25 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.5 mt -60.91 -43.96 96.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.193 177.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.02 -50.62 71.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 175.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.02 -36.58 82.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -175.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -86.74 -39.91 15.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 -173.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -117.23 -45.75 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -167.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.12 -177.19 17.79 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.7 tp -63.66 -46.93 83.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.332 . . . . 0.0 111.182 -174.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.58 -47.45 49.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.242 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.17 -44.51 91.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.222 177.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.66 76.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -70.15 -38.51 75.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.177 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.7 p -75.3 -21.42 58.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.208 178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 108.7 -4.11 32.42 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.57 -179.15 52.53 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -75.16 -17.92 18.82 Favored 'Trans proline' 0 C--N 1.327 -0.558 0 C-N-CA 121.667 1.578 . . . . 0.0 111.211 178.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.4 p -84.77 171.53 12.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -112.97 150.93 31.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.236 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.12 -162.33 34.42 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo . . . . . 0 C--O 1.2 -1.412 0 C-N-CA 121.65 1.567 . . . . 0.0 111.243 179.395 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.3 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.815 0.34 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.9 t -111.52 103.88 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.254 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -71.75 -59.22 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.249 -176.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -111.88 145.57 39.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.1 p -120.77 11.15 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -55.86 -53.07 61.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 -176.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.52 -33.35 74.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 -175.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -68.75 -37.43 79.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.303 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -70.82 -36.94 73.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.209 178.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.9 -39.37 94.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 26' ' ' TYR . 86.9 mt -78.15 -31.01 49.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.183 177.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.14 42.78 8.5 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.6 p -141.39 142.62 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.354 . . . . 0.0 111.212 -175.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.416 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 30.1 t -60.99 137.99 94.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.231 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 56.9 Cg_exo -55.76 -26.73 58.21 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.653 1.569 . . . . 0.0 111.194 175.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.0 p -73.86 -13.37 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.97 144.85 55.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.1 p30 -84.09 175.68 9.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.191 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -59.38 -31.78 69.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 -171.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -69.43 -44.46 71.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.149 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -74.2 -30.9 62.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.453 HD13 ' HB3' ' A' ' 55' ' ' LEU . 94.3 mt -66.94 -35.94 81.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 175.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -59.29 -45.09 92.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 171.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.54 -39.25 79.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 176.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.51 -44.14 95.58 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 175.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.425 ' HA ' HD22 ' A' ' 11' ' ' LEU . 49.0 t80 -61.4 -45.33 94.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.795 0.331 . . . . 0.0 111.204 177.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -56.92 -42.98 80.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.69 -44.55 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.179 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.53 87.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.23 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.21 -40.95 95.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.77 -41.36 83.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.277 174.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -58.1 -45.52 87.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.167 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -104.38 22.2 15.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.201 -176.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 59.2 t-80 -65.53 133.64 95.31 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.221 -176.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 77.0 Cg_exo -54.18 -33.41 74.61 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.771 1.647 . . . . 0.0 111.105 -174.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -93.01 12.32 24.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.186 -171.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.14 156.1 41.53 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.209 176.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -55.59 -32.11 81.82 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.695 1.597 . . . . 0.0 111.21 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.8 p -99.3 21.92 11.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.02 143.37 48.63 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -150.93 97.1 2.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 111.23 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.5 m -58.99 -41.49 87.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.18 -173.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -57.23 -55.02 40.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.226 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.25 -32.03 70.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -58.48 -36.6 74.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.209 177.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -75.19 -36.38 61.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 174.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -64.56 -42.76 95.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 pt -72.04 -22.03 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.1 m -72.99 -37.68 66.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -65.59 -41.62 92.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 168.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.94 -45.59 78.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.256 175.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.406 ' O ' ' N ' ' A' ' 56' ' ' ASN . 59.8 t80 -60.06 -58.08 10.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 178.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -53.84 -47.44 70.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 89.4 mt -66.16 -43.0 92.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.158 -178.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.453 ' HB3' HD13 ' A' ' 22' ' ' LEU . 96.7 mt -89.65 -8.89 51.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -173.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.7 t30 -78.23 -53.92 6.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.188 174.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -66.82 115.81 28.72 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 173.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -52.24 -35.8 65.0 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.698 1.599 . . . . 0.0 111.112 -177.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -68.32 -46.84 69.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.123 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -68.31 -36.21 78.99 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.221 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.5 ttp85 -59.99 -46.26 90.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.162 176.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -63.37 -41.65 98.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 178.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.5 mt -60.58 -41.84 89.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.28 -50.96 70.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.22 174.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.58 -34.64 78.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.254 -176.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -87.64 -41.27 13.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.297 -174.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -118.21 -46.23 2.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 -165.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.69 -175.56 20.45 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 171.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.509 HD23 ' C ' ' A' ' 69' ' ' LEU . 8.0 tt -65.36 -54.49 28.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.8 0.333 . . . . 0.0 111.179 -171.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 51.1 tp10 -59.78 -33.3 71.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.24 -177.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.53 -40.46 97.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.229 173.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.45 -34.69 78.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 177.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -65.14 -42.76 93.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.232 175.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.7 t -81.73 -72.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.07 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.62 -169.74 52.63 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.45 -111.38 3.3 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -56.73 143.98 88.29 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.701 1.601 . . . . 0.0 111.212 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.2 t -65.32 142.95 58.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.219 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -108.5 156.14 19.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -173.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -93.04 -161.67 36.28 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo . . . . . 0 C--O 1.2 -1.407 0 C-N-CA 121.691 1.594 . . . . 0.0 111.221 179.778 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.472 ' OG ' ' N ' ' A' ' 2' ' ' VAL . 93.6 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.704 0.287 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.472 ' N ' ' OG ' ' A' ' 1' ' ' SER . 61.9 t -112.1 99.89 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.226 -178.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -68.34 -62.11 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.147 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -109.04 145.5 35.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.194 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.4 p -118.97 7.11 11.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.231 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.58 -52.89 63.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.258 -174.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.47 -34.0 77.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.252 -175.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -69.66 -36.0 75.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.179 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -71.77 -35.56 70.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.37 -38.82 92.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 26' ' ' TYR . 79.6 mt -83.67 -28.5 28.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 177.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.51 43.86 8.25 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p -142.26 140.98 28.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.776 0.322 . . . . 0.0 111.214 -175.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.2 t -63.95 143.35 98.19 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -71.62 -12.23 28.9 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 121.616 1.544 . . . . 0.0 111.158 178.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.8 p -73.43 -15.21 61.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 174.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 21' ' ' GLU . . . -73.63 148.36 42.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.168 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.1 p30 -83.42 174.56 10.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.244 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.3 mp0 -60.16 -31.2 69.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.88 -44.27 73.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.218 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 80.0 mm-40 -73.65 -32.14 63.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.178 178.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.441 HD13 ' HB3' ' A' ' 55' ' ' LEU . 94.0 mt -65.79 -36.16 82.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 175.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -60.33 -44.87 95.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 172.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -57.67 -38.28 74.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.66 -44.82 93.86 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.412 ' HA ' HD22 ' A' ' 11' ' ' LEU . 64.2 t80 -62.71 -47.09 85.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.769 0.318 . . . . 0.0 111.252 177.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -52.44 -43.25 64.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.206 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -64.61 -54.39 32.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.153 175.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.76 -34.94 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.0 98.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.265 -178.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.68 -40.74 76.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 174.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.26 -43.88 88.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.255 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -107.72 16.83 23.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -51.98 137.01 36.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.163 -176.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -51.92 -35.23 59.36 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.621 1.547 . . . . 0.0 111.244 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -89.26 -8.07 54.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.28 -175.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -68.25 124.43 89.75 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.23 176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -52.85 -36.77 75.56 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.727 1.618 . . . . 0.0 111.152 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.0 p -113.11 35.32 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.233 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.29 -162.98 37.59 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -161.29 108.85 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 0.0 111.3 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.4 m -63.27 -44.21 95.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.218 -173.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -59.59 -47.49 85.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.3 tppt? -66.65 -36.29 82.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.255 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -58.3 -41.34 84.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.11 -39.35 93.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.99 -44.49 92.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.239 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.5 pt -76.7 -19.65 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 57.7 m -72.85 -37.41 67.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 174.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -63.63 -41.85 98.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.266 168.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.22 -44.13 83.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.183 174.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -60.04 -59.99 4.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 178.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -54.69 -44.81 73.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.216 -176.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.3 -46.43 87.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.441 ' HB3' HD13 ' A' ' 22' ' ' LEU . 97.4 mt -88.8 -5.72 57.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.268 -172.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -80.59 -55.4 4.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.2 172.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -68.71 115.72 33.54 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.264 173.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -52.28 -35.67 64.95 Favored 'Trans proline' 0 C--N 1.328 -0.544 0 C-N-CA 121.661 1.574 . . . . 0.0 111.153 -178.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -68.37 -45.67 72.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.224 -177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -70.0 -33.73 72.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.197 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 54.6 ttp85 -59.39 -45.98 89.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.17 174.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.77 -42.08 97.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.224 177.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.4 mt -60.29 -39.89 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.283 177.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -62.6 -50.25 72.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 174.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -65.54 -26.61 67.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.173 -175.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -96.13 -43.28 7.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 -174.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -111.12 -51.49 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.199 -168.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 139.24 -176.38 21.04 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 173.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.484 HD23 ' C ' ' A' ' 69' ' ' LEU . 8.3 tt -62.35 -53.96 47.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.803 0.335 . . . . 0.0 111.214 -170.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -54.36 -45.64 72.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 -175.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.2 -37.91 87.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.201 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.32 -50.9 63.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.245 -177.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -77.77 -13.63 59.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.218 -175.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 86.2 p -78.54 -9.69 59.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 172.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.22 26.72 39.18 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -175.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.82 151.17 10.09 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -175.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -72.99 150.04 47.98 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.718 1.612 . . . . 0.0 111.232 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.9 t 52.11 -117.53 1.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.197 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -113.98 28.7 8.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.173 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 132.8 143.65 5.09 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo . . . . . 0 C--O 1.2 -1.395 0 C-N-CA 121.691 1.594 . . . . 0.0 111.177 -179.519 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.47 ' OG ' ' N ' ' A' ' 2' ' ' VAL . 99.1 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.754 0.312 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.47 ' N ' ' OG ' ' A' ' 1' ' ' SER . 35.3 m -127.44 162.3 33.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -69.26 -59.83 2.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -108.38 146.41 33.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.188 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.9 p -117.65 8.36 12.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.284 -177.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -55.84 -49.56 72.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.179 -174.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.5 mt -71.54 -31.63 67.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.227 -175.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -70.51 -33.42 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.243 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -71.93 -36.38 69.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 176.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.8 -41.59 97.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.193 176.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.3 mt -79.82 -29.45 40.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.229 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.89 42.49 11.04 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.0 p -139.69 142.03 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.873 0.368 . . . . 0.0 111.246 -174.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.0 t -64.03 144.13 98.2 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.223 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -69.13 -13.26 35.93 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.701 1.601 . . . . 0.0 111.195 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.7 p -78.4 -10.93 59.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.124 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.37 145.34 51.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -84.46 -178.59 6.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -55.17 -48.44 73.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.152 -173.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.08 -40.32 94.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.199 -175.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -70.94 -33.53 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.95 -39.45 94.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.171 173.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.09 -42.5 99.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.246 175.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.62 -40.35 78.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.262 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.1 -45.54 93.8 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 175.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -61.8 -45.01 95.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 111.24 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -58.09 -42.93 86.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.17 -44.9 82.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 177.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.44 -34.09 77.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.203 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.82 82.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.73 -35.99 79.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.197 173.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.36 -41.71 93.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -124.19 59.89 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.458 ' HB3' ' HB2' ' A' ' 37' ' ' LYS . 55.2 t-80 -72.73 137.9 80.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.23 -178.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_exo -52.28 -34.87 61.79 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.67 1.58 . . . . 0.0 111.249 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -96.11 9.01 42.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 -175.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.458 ' HB2' ' HB3' ' A' ' 34' ' ' HIS . 85.1 tttt -83.26 124.65 75.86 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.57 -16.87 23.92 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.635 1.557 . . . . 0.0 111.187 -174.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.2 p -116.88 18.31 14.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.9 154.89 17.77 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -104.79 114.49 28.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.342 . . . . 0.0 111.199 -178.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.4 m -57.45 -35.8 70.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -66.95 -33.26 75.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.7 mmmt -72.17 -34.8 68.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.215 174.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -60.44 -40.93 92.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.245 171.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.82 -42.98 94.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.192 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.84 -47.7 83.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.269 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.8 pt -74.04 -23.77 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.259 -177.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.2 m -71.27 -39.33 71.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.24 175.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.2 mt-10 -63.73 -43.93 95.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.287 170.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.93 -45.63 86.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -60.62 -56.73 17.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.18 178.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -54.8 -49.51 70.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.225 -176.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.31 -42.01 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.254 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -86.93 -9.27 56.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.275 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -80.81 -55.57 4.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.23 173.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -63.61 116.48 26.51 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_exo -51.98 -35.09 59.44 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.685 1.59 . . . . 0.0 111.208 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -67.84 -58.18 5.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.17 -35.96 78.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.234 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -60.01 -49.94 75.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.285 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -62.43 -39.27 92.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 95.7 mt -61.2 -44.08 97.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.271 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -63.01 -50.7 69.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 175.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -61.23 -36.21 79.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 -175.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -87.43 -41.04 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 -174.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -116.85 -45.43 2.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 -165.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.54 -175.46 18.98 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 173.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.4 tp -64.47 -46.27 83.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.766 0.317 . . . . 0.0 111.177 -172.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.55 -47.77 57.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.38 90.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.34 -37.33 86.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.107 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -69.74 -38.32 76.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.4 p -78.01 -23.65 48.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.22 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.15 33.43 40.45 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.289 -0.724 . . . . 0.0 111.289 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.27 -148.62 18.1 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -174.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -63.05 153.88 69.91 Favored 'Cis proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.681 -2.216 . . . . 0.0 111.148 -1.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.2 p -74.09 161.09 30.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.231 173.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -130.27 24.88 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.253 -175.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.9 -162.53 33.5 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.214 -0.755 . . . . 0.0 111.214 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo . . . . . 0 C--O 1.2 -1.405 0 C-N-CA 121.776 1.651 . . . . 0.0 111.213 179.381 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.758 0.313 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.3 t -114.92 105.21 18.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.177 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -68.56 -58.06 4.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -178.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -117.55 147.38 42.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 -178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 73.3 p -122.84 10.55 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.236 -178.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.6 -50.24 72.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.222 -175.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.9 mt -67.07 -33.17 74.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 -177.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -68.4 -36.39 79.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.285 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.41 -36.8 74.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.234 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.4 mt -62.59 -40.18 96.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 176.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.5 mt -80.06 -28.79 39.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.209 179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 82.44 43.13 8.09 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.7 p -144.68 135.47 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.221 178.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.4 t -69.66 142.43 91.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -69.47 -13.93 36.18 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 121.646 1.564 . . . . 0.0 111.186 176.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.5 p -78.0 -11.42 59.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.261 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.34 149.6 47.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -79.77 -179.53 6.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.161 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -61.35 -44.46 97.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.195 -169.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -68.07 -39.01 83.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.163 -177.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -69.89 -33.0 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.231 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.31 -41.38 96.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.271 173.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.09 -38.63 83.5 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.24 -41.57 93.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 174.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.93 -38.32 94.1 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -61.09 -44.7 96.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.821 0.344 . . . . 0.0 111.183 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -76.44 -37.31 57.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 -177.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -55.8 -55.58 30.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.81 99.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.249 -177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.93 -42.55 85.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.9 mt -76.2 -35.28 59.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -58.02 -40.05 79.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.197 -176.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -116.7 26.28 9.96 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.218 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.9 t-80 -52.23 136.07 40.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 -175.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 99.7 Cg_exo -53.9 -35.68 80.79 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.723 1.615 . . . . 0.0 111.238 -177.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -92.54 6.25 47.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.276 -174.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -83.34 128.86 62.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_exo -52.74 -37.87 76.46 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 121.586 1.524 . . . . 0.0 111.195 -178.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 63.2 p -115.37 37.43 3.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.233 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.33 -161.66 37.62 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 176.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -159.98 108.6 1.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 111.165 -178.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.8 m -64.27 -42.16 96.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.15 -174.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.22 -40.56 94.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -70.39 -36.35 74.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.187 175.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.42 ' HA ' HG12 ' A' ' 48' ' ' ILE . 74.2 t80 -58.55 -41.59 85.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.211 176.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -63.9 -38.66 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -63.5 -45.37 91.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.227 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.42 HG12 ' HA ' ' A' ' 45' ' ' PHE . 44.3 pt -78.3 -18.45 13.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.206 -178.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.2 m -67.13 -41.02 86.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 172.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -65.3 -42.76 92.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 171.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.37 87.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 175.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -59.24 -60.26 4.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.22 177.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -55.37 -48.72 73.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.192 -175.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.71 -42.57 96.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.191 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -89.94 -8.07 52.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.283 -176.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -79.21 -53.4 7.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.177 172.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -64.97 116.69 31.99 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 174.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -52.21 -36.61 67.87 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.745 1.63 . . . . 0.0 111.192 -177.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -67.91 -51.1 51.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.229 -178.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -66.73 -33.48 75.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.177 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -58.04 -48.95 78.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -68.96 -38.3 79.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.188 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.27 -40.07 84.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.172 176.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -61.71 -48.11 82.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.201 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -83.83 0.15 48.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.213 -171.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -119.46 -44.22 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -101.83 -45.77 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.283 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.57 177.37 14.85 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.01 -50.19 74.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 111.196 -177.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -47.6 -47.53 28.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.195 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.49 -56.2 12.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.77 -35.41 78.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.212 -174.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 69.0 ttt-85 -65.69 -40.99 92.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.3 p -74.83 -23.6 58.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.235 176.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 121.3 -18.3 8.88 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -176.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.82 -162.2 46.65 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 175.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -60.12 151.26 74.06 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.704 1.603 . . . . 0.0 111.189 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 91.8 p -67.38 -17.07 64.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.161 -178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -105.19 15.29 27.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.242 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 80.46 -158.11 41.15 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo . . . . . 0 C--O 1.2 -1.38 0 C-N-CA 121.708 1.605 . . . . 0.0 111.258 -178.033 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 31.2 t . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.718 0.294 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t -110.32 107.21 22.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -73.67 -59.88 2.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -111.14 147.25 35.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 -178.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.7 p -119.88 9.01 11.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 -178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -56.71 -51.54 68.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.231 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.9 -32.09 72.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.206 -176.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -69.38 -35.52 75.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -69.95 -35.33 74.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.02 -41.56 98.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.148 175.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.8 mt -78.56 -28.43 45.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.35 41.97 9.68 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.3 p -144.61 138.34 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.755 0.312 . . . . 0.0 111.219 -176.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.1 t -65.55 141.07 97.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.203 -177.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.68 -11.57 26.12 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.722 1.614 . . . . 0.0 111.102 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.2 p -72.97 -17.15 61.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.268 175.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.73 157.91 24.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.168 178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 45.8 p30 -81.52 179.13 7.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -69.06 -30.2 68.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 -171.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -63.29 -39.87 95.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.71 -35.44 72.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.5 -38.19 90.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 177.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -61.6 -48.0 82.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 175.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -63.32 -34.11 76.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.225 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.98 -45.59 93.57 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.276 -0.729 . . . . 0.0 111.276 173.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -61.33 -46.3 90.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.135 175.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -55.96 -42.31 76.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.194 -178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.89 -45.89 76.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.252 177.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.46 -35.64 81.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.11 96.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.26 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.4 mt -65.99 -40.74 91.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 173.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.48 -44.71 85.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -107.29 24.45 12.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.286 -177.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.76 133.07 94.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.175 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -54.32 -33.67 77.09 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.629 1.553 . . . . 0.0 111.186 -174.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -92.97 11.89 25.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.268 -171.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -111.45 156.8 40.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.225 176.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -55.86 -31.76 82.4 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 121.757 1.638 . . . . 0.0 111.244 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.8 p -99.37 19.89 14.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.37 142.73 48.47 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -153.82 104.11 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 111.203 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.9 m -60.27 -43.06 96.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.209 -173.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.16 -51.07 71.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.92 -32.14 70.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.165 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.61 -40.16 96.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.278 176.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.56 -38.89 88.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -61.44 -45.99 91.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 pt -74.44 -25.07 19.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.7 m -70.42 -39.92 74.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.227 175.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -62.52 -47.86 82.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.196 170.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.55 -45.58 73.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.269 177.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' ASN . 61.3 t80 -59.99 -54.97 39.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.148 177.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -52.03 -48.04 64.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.238 -177.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.4 mt -67.3 -43.71 87.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.144 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.9 mt -86.85 -6.9 58.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.208 -174.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.5 t30 -81.77 -57.16 3.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.278 173.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -63.81 116.69 28.72 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.232 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -51.79 -36.89 64.23 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.733 1.622 . . . . 0.0 111.152 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -68.26 -47.63 67.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.2 -37.33 80.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.228 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.2 ttp85 -60.02 -46.72 88.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -63.36 -40.44 97.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.312 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.8 mt -60.17 -43.86 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.222 176.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -62.89 -50.88 69.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.196 176.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.23 -37.17 82.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.26 -176.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -85.81 -39.27 17.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 -173.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -118.24 -45.44 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 -167.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 126.68 -175.86 17.8 Favored Glycine 0 CA--C 1.521 0.442 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 173.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.37 -44.5 96.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.776 0.322 . . . . 0.0 111.135 -173.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -49.45 -50.32 41.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.291 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.43 90.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.206 177.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.18 -37.48 80.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -73.71 -35.24 65.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.188 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 85.4 p -80.01 -20.45 45.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.204 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.87 18.3 54.62 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.424 ' HA2' ' HD3' ' A' ' 77' ' ' PRO . . . 135.0 151.79 6.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.424 ' HD3' ' HA2' ' A' ' 76' ' ' GLY . 52.3 Cg_exo -57.84 147.27 82.11 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.73 1.62 . . . . 0.0 111.187 177.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 93.4 p -63.18 -26.75 68.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -116.39 30.12 7.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 174.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -99.15 -157.45 29.09 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo . . . . . 0 C--O 1.199 -1.429 0 C-N-CA 121.68 1.587 . . . . 0.0 111.13 179.852 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 2' ' ' VAL . 99.3 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.805 0.336 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.466 ' N ' ' OG ' ' A' ' 1' ' ' SER . 31.2 m -127.38 160.72 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.135 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -65.12 -56.62 11.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -112.85 145.97 39.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.207 179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.6 p -116.44 5.74 13.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -54.92 -53.0 61.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.2 -174.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.0 mt -68.72 -31.92 71.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 -175.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -70.97 -34.11 71.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 177.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.31 -36.1 71.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 176.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.25 -41.38 98.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.228 176.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.2 mt -79.83 -28.99 40.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 178.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.14 43.27 9.83 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.5 p -141.37 142.91 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.346 . . . . 0.0 111.103 -173.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -62.42 143.21 96.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.174 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -70.89 -12.06 30.23 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.647 1.565 . . . . 0.0 111.194 178.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.7 p -76.32 -12.64 60.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 175.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.23 147.09 44.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.5 p30 -87.22 175.12 8.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 176.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -58.47 -32.54 68.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 -171.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.67 -44.16 74.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.197 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -73.82 -31.32 63.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.65 -36.63 84.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.67 -44.79 93.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 172.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.18 -40.25 81.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.85 -44.95 95.66 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -60.66 -46.29 90.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.737 0.303 . . . . 0.0 111.145 177.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -55.93 -41.95 75.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.213 -178.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.28 -46.79 75.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.11 -35.05 79.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.234 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.04 95.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.227 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.71 -40.9 92.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.192 173.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.26 -44.97 84.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.218 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -107.71 25.22 11.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 -177.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -65.15 132.17 95.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.182 -176.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -54.45 -33.93 79.5 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 C-N-CA 121.694 1.596 . . . . 0.0 111.19 -174.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -92.64 9.64 33.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 -170.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.51 157.61 36.93 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.251 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -55.84 -31.56 81.49 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.715 1.61 . . . . 0.0 111.178 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.8 p -98.9 19.38 15.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.232 -176.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.31 142.41 48.36 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -153.65 104.03 2.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.904 0.383 . . . . 0.0 111.273 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.0 m -60.0 -42.08 93.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.215 -173.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.39 -51.51 69.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.99 -33.08 71.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.151 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -63.0 -40.59 98.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.215 176.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -62.46 -43.31 99.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 175.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -59.35 -46.42 88.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.15 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.1 pt -74.3 -24.23 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.27 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.4 m -71.71 -38.75 70.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 175.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.74 -44.33 93.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.248 170.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.78 -43.82 85.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.221 176.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' ASN . 48.5 t80 -59.85 -59.34 5.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 178.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -54.03 -49.45 68.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 -175.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.9 mt -63.7 -41.43 92.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.225 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.1 mt -88.5 -11.13 46.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -175.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.9 t30 -78.31 -53.28 7.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 176.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -65.68 115.87 26.51 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -52.38 -36.16 67.88 Favored 'Trans proline' 0 N--CA 1.457 -0.676 0 C-N-CA 121.689 1.592 . . . . 0.0 111.28 -177.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -68.81 -46.61 68.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -68.75 -36.44 78.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.2 ttp85 -61.96 -47.18 86.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.237 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -61.97 -38.22 87.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.242 179.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.6 mt -61.46 -48.96 86.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.19 174.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -59.63 -48.53 81.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -64.08 -32.55 74.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 -175.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -104.66 -67.72 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -175.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -71.27 -39.94 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -170.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.68 175.66 14.27 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.2 tp -68.31 -45.88 71.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.735 0.302 . . . . 0.0 111.227 -174.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -48.75 -48.33 40.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.61 -41.74 95.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.2 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.27 -38.27 90.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.223 -179.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -72.73 -36.08 67.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.22 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.9 p -75.82 -23.87 55.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.42 46.28 8.15 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.54 -172.62 35.53 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -177.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -58.26 139.0 88.88 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.704 1.603 . . . . 0.0 111.155 -178.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.3 t -68.13 141.68 56.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.219 177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -62.53 136.2 57.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.18 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -124.97 107.52 1.0 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 177.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo . . . . . 0 C--O 1.202 -1.287 0 C-N-CA 121.682 1.588 . . . . 0.0 111.26 179.161 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.801 0.334 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.8 103.32 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.3 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -72.01 -61.06 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 -177.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -109.31 147.15 33.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.292 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.7 p -119.48 8.56 11.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.215 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.5 -51.12 69.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -174.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.0 mt -68.26 -32.18 72.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.26 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -70.18 -34.49 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -70.37 -35.92 73.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 176.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.24 -41.59 98.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.134 176.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -78.55 -29.53 46.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.215 178.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.83 41.94 10.26 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.3 p -143.74 139.62 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.814 0.34 . . . . 0.0 111.163 -176.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.2 t -64.05 143.93 98.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.3 -11.15 28.3 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.676 1.584 . . . . 0.0 111.22 178.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.3 p -76.46 -11.73 59.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.255 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.62 149.52 45.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.159 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -83.29 -178.6 7.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.72 -44.14 96.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.195 -170.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -68.14 -39.32 82.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.229 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -67.98 -36.44 80.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.58 -39.86 95.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 174.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.67 -43.69 98.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 174.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.32 -38.87 81.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.222 177.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.21 -46.23 93.07 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -60.23 -46.28 90.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 111.216 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -57.16 -41.98 80.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.93 -45.5 81.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 177.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.48 -36.09 82.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.24 96.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.14 -40.73 90.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 173.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.36 -44.65 84.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.187 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -107.11 24.02 13.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.301 -177.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -65.8 132.91 94.89 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.239 -177.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -54.08 -33.96 75.9 Favored 'Trans proline' 0 C--N 1.328 -0.543 0 C-N-CA 121.672 1.581 . . . . 0.0 111.208 -174.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -92.35 9.95 31.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 -170.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.18 156.81 38.63 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 176.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -55.88 -31.73 82.44 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.755 1.637 . . . . 0.0 111.198 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.6 p -99.36 19.7 15.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -176.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.13 142.6 48.5 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -153.82 103.94 2.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.821 0.343 . . . . 0.0 111.147 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.5 m -59.97 -43.37 95.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -173.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.98 -51.09 71.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.298 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.96 -31.96 69.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.155 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -62.74 -39.99 95.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.241 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -66.74 -38.65 87.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.247 176.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.49 -46.04 91.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.9 pt -74.22 -25.32 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.5 m -70.51 -39.99 73.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.203 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.58 -47.54 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.259 170.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.09 -46.15 71.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.22 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.404 ' O ' ' N ' ' A' ' 56' ' ' ASN . 67.8 t80 -60.0 -54.12 49.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 177.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -52.13 -48.55 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.215 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 93.6 mt -66.36 -43.49 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -178.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.6 mt -86.89 -6.91 58.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.195 -174.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.7 t30 -81.68 -56.7 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.225 173.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -64.36 116.29 26.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.162 174.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -52.04 -36.49 65.5 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.663 1.575 . . . . 0.0 111.196 -177.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -66.19 -53.37 38.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 -179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.79 -37.34 87.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.131 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 57.2 ttp85 -60.24 -48.06 83.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.184 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.83 -39.69 95.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 93.2 mt -60.81 -43.64 95.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.235 176.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.54 -51.14 68.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.195 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -61.57 -36.35 80.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 -175.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -86.46 -39.93 15.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -117.64 -46.39 2.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 -166.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.18 -174.12 19.7 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 173.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.1 tp -64.77 -44.46 89.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.18 -172.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -60.37 -34.83 74.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.034 -177.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.7 -41.08 72.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.194 174.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.15 89.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.192 178.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -72.33 -34.12 67.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.245 176.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.1 m -68.08 -35.93 78.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 175.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 92.2 29.77 10.94 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.3 178.31 44.12 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -57.66 142.56 95.84 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.722 1.615 . . . . 0.0 111.179 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.4 t 60.74 -157.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -90.98 139.04 31.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.3 -161.28 33.84 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo . . . . . 0 C--O 1.2 -1.382 0 C-N-CA 121.634 1.556 . . . . 0.0 111.19 179.449 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.697 0.284 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.8 t -113.24 100.54 10.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.55 -64.39 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -176.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -98.24 149.36 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 -178.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.2 p -127.72 2.73 6.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.189 -176.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.9 -51.65 68.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.233 -173.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.98 -33.03 74.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -69.78 -36.42 75.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -71.11 -36.14 72.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -64.67 -39.03 92.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 26' ' ' TYR . 82.0 mt -80.96 -30.26 35.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 177.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.79 42.42 9.87 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.1 p -143.64 141.79 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 111.156 -176.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p -72.07 154.54 92.36 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 -175.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.22 -12.02 25.27 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.711 1.608 . . . . 0.0 111.235 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.7 p -74.77 -13.2 60.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.199 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 21' ' ' GLU . . . -71.47 143.82 49.9 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.177 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.4 p30 -84.75 -179.65 7.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.22 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.2 mp0 -59.19 -35.48 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 -173.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -70.08 -43.18 71.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HB2' ' HB1' ' A' ' 17' ' ' ALA . 80.8 mm-40 -72.96 -32.37 65.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.159 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.38 -38.53 91.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 173.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.67 -43.59 97.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.168 174.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -58.44 -40.93 83.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.88 -43.82 96.42 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 175.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.415 ' HA ' HD22 ' A' ' 11' ' ' LEU . 42.7 t80 -61.91 -45.73 92.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 111.22 177.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -57.97 -42.98 86.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.229 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -67.62 -44.74 77.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.16 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.36 -36.84 85.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.232 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.86 97.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.93 -40.95 83.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 174.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.15 -44.2 87.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -107.07 24.72 12.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.219 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 59.3 t-80 -66.0 133.94 94.9 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -177.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 79.2 Cg_exo -54.03 -33.46 73.32 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.72 1.614 . . . . 0.0 111.248 -174.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -93.16 13.01 22.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.266 -171.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.87 156.06 42.27 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.25 176.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -55.85 -31.96 83.09 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.669 1.579 . . . . 0.0 111.183 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.2 p -99.39 21.5 11.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 -177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.37 143.73 48.67 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -178.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -151.26 98.32 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.783 0.325 . . . . 0.0 111.183 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.1 m -59.48 -41.98 91.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 -172.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.59 -53.55 56.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.183 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -69.48 -31.92 70.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.257 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -58.55 -40.1 82.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.201 176.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.9 -37.51 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.216 174.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.3 -43.05 95.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.164 -178.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.8 pt -73.17 -24.68 20.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 71.7 m -69.38 -39.27 78.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 172.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.58 -42.54 95.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.284 170.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.23 -44.12 83.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.223 175.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -59.1 -56.97 15.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -56.05 -50.09 71.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.238 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 86.3 mt -63.29 -45.6 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.177 -175.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 99.1 mt -85.51 -24.0 27.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.219 -170.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -71.01 -46.35 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.241 175.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -66.87 115.61 26.71 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.248 174.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -52.18 -35.42 62.84 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.699 1.599 . . . . 0.0 111.206 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -69.06 -58.45 4.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.1 -32.8 74.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.186 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -59.95 -49.33 78.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 176.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.2 -39.09 93.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.174 178.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.97 -42.56 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.73 -49.99 70.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 176.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.01 -37.75 88.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -83.65 -56.85 3.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 -175.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -98.59 -40.33 8.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 -165.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 127.99 -169.03 19.75 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 173.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 61.6 tp -67.6 -50.49 58.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 0.0 111.235 -170.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -61.65 -35.15 77.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.222 -173.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.93 -41.7 91.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.245 173.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.42 -35.08 79.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 177.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -66.5 -39.2 88.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 178.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 96.3 p -80.64 -24.36 39.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.252 176.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.69 36.42 29.37 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' A' ' 77' ' ' PRO . . . 102.3 -158.45 18.15 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -175.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.417 ' HA ' ' HA3' ' A' ' 76' ' ' GLY . 83.3 Cg_endo -73.42 -179.92 26.74 Favored 'Cis proline' 0 C--N 1.328 -0.512 0 C-N-CA 121.656 -2.227 . . . . 0.0 111.157 -0.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.4 t -59.88 135.24 57.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.137 173.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -112.6 30.53 7.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -177.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 86.83 -156.23 28.55 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 177.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo . . . . . 0 C--O 1.2 -1.38 0 C-N-CA 121.788 1.659 . . . . 0.0 111.273 -177.724 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.791 0.329 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.0 m -126.1 160.84 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.249 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -71.45 -63.01 1.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.183 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -96.6 143.28 27.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.209 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -121.57 3.4 10.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.226 -176.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -57.0 -51.28 69.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -173.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.48 -32.32 72.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.263 -175.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -69.64 -34.65 74.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.252 177.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -71.62 -36.25 70.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.226 177.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.08 -41.28 98.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 177.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.8 mt -80.47 -28.89 37.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.58 43.1 10.57 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.29 141.62 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.35 . . . . 0.0 111.228 -174.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -65.32 144.15 98.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -69.36 -13.44 35.66 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 121.721 1.614 . . . . 0.0 111.228 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.0 p -77.69 -11.12 59.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.3 146.4 48.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.254 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -83.13 -178.45 7.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.228 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.38 -39.85 92.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -171.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -66.74 -41.55 87.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -72.46 -33.5 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.21 -39.76 95.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.179 173.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.81 -43.24 99.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.204 174.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -57.75 -40.55 79.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.76 -45.32 93.57 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 175.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -62.19 -45.84 91.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.859 0.361 . . . . 0.0 111.242 177.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -57.3 -42.36 81.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.234 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.22 -46.8 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.216 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.25 -35.29 80.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.41 97.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.82 -40.84 92.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.286 173.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.49 -44.39 84.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.262 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -108.04 25.25 11.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.261 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -65.42 132.29 95.11 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.245 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -54.4 -33.9 78.83 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.734 1.623 . . . . 0.0 111.224 -174.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -92.66 9.45 34.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.152 -170.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.23 157.59 36.73 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.209 176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -55.99 -31.35 81.86 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.654 1.569 . . . . 0.0 111.237 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.4 p -99.2 19.84 14.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 -176.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.9 141.95 48.3 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -153.52 104.09 2.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.219 -179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.9 m -60.11 -42.16 94.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.215 -173.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.27 -51.42 70.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.277 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -70.08 -33.16 71.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -62.84 -40.32 97.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 176.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.92 -42.92 99.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.269 175.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.61 -46.26 89.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 -177.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.0 pt -74.13 -24.53 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.251 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.5 m -71.04 -38.99 72.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 175.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -63.35 -43.89 96.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 170.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.64 86.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.174 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -60.0 -56.29 23.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -55.79 -49.87 72.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.189 -176.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.82 -40.94 90.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.274 -177.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.6 mt -88.17 -5.65 58.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.258 -177.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -82.68 -58.95 2.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.179 172.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -61.43 117.24 25.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -52.2 -36.6 67.65 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.668 1.579 . . . . 0.0 111.231 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -68.7 -44.44 73.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.18 -177.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.46 -35.36 68.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.7 ttp-105 -64.83 -44.22 90.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.195 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -62.32 -44.29 96.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.8 mt -61.93 -42.99 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.272 177.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -62.11 -51.18 68.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.82 -36.13 80.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 -176.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -87.19 -67.82 0.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.244 -179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -80.33 -51.29 9.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -168.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.8 -172.3 22.9 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.48 -47.73 62.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.839 0.352 . . . . 0.0 111.252 -172.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -56.24 -41.96 76.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.279 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.74 -42.26 91.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.19 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.93 -40.22 94.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.248 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.2 mtp85 -66.59 -41.08 89.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 93.7 p -83.61 -23.31 31.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.211 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.84 29.02 57.97 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -177.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -124.37 -160.39 10.75 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -173.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -78.19 177.44 8.77 Favored 'Trans proline' 0 C--N 1.328 -0.509 0 C-N-CA 121.687 1.592 . . . . 0.0 111.196 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.4 p -69.06 157.52 36.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.186 177.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -127.29 71.61 1.34 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.189 -178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.0 -153.35 17.55 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -178.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo . . . . . 0 C--O 1.2 -1.395 0 C-N-CA 121.763 1.642 . . . . 0.0 111.179 179.822 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 2' ' ' VAL . 97.6 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.739 0.304 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.463 ' N ' ' OG ' ' A' ' 1' ' ' SER . 35.2 m -127.02 162.07 32.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -68.16 -51.42 46.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.205 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -119.26 145.06 46.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.235 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.5 p -116.49 8.38 13.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.225 -176.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.8 -49.04 74.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -174.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.86 -30.48 64.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.277 -175.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -71.79 -32.97 68.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.233 177.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -71.1 -36.4 72.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 176.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.73 -42.82 99.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.198 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.9 mt -79.04 -29.61 43.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.227 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.42 43.43 9.4 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.3 p -141.95 142.4 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.762 0.315 . . . . 0.0 111.243 -174.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.433 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 31.2 t -62.49 138.68 96.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.149 -176.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 76.9 Cg_exo -55.0 -27.14 53.0 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 121.644 1.562 . . . . 0.0 111.233 175.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.0 p -70.74 -16.28 62.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.201 -176.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.99 144.91 53.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -85.59 174.81 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 177.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -58.27 -32.45 68.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 -171.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -68.82 -44.5 73.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -73.89 -31.18 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.235 178.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.1 mt -65.67 -37.1 85.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 175.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.14 -44.6 94.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.26 172.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.07 -41.02 82.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.236 177.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.94 -44.96 95.79 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -60.22 -47.37 86.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.82 0.343 . . . . 0.0 111.217 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -56.78 -41.98 78.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.184 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.54 -46.27 80.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.158 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.97 -34.6 78.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.37 96.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.0 mt -70.42 -41.45 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 174.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -58.26 -41.96 85.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.224 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -110.67 30.38 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 -177.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 42.7 t-80 -56.98 123.82 61.67 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.235 -176.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 89.9 Cg_exo -56.52 -34.49 95.17 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.715 1.61 . . . . 0.0 111.221 -172.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -88.68 2.22 53.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 -169.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -103.08 147.2 33.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.091 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.33 -14.22 25.43 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.693 1.596 . . . . 0.0 111.242 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.2 p -107.6 12.11 27.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.202 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.4 -164.23 35.9 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -160.67 106.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.828 0.347 . . . . 0.0 111.098 -178.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.9 m -63.48 -43.26 97.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.219 -174.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.43 -47.97 83.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -66.8 -36.83 83.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 178.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -56.22 -43.01 78.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 175.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.47 -39.46 94.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 176.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.67 -44.79 89.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.5 pt -75.39 -23.01 16.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.3 m -71.18 -39.48 71.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 174.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.36 -48.1 82.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 169.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.87 -45.44 74.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.188 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 56' ' ' ASN . 54.7 t80 -60.01 -55.24 36.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.212 178.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -51.82 -47.66 64.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.23 -176.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.4 mt -67.15 -42.77 88.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -87.88 -6.07 58.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -174.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' PHE . 51.9 t30 -80.85 -57.33 3.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.253 174.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -65.66 116.11 28.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.196 174.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -52.09 -35.96 64.02 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.737 1.624 . . . . 0.0 111.238 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -68.05 -46.07 72.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -67.93 -35.48 78.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.185 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.4 ttp85 -61.37 -45.18 95.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.209 176.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -62.57 -37.36 85.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.247 178.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.79 -45.79 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 175.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -65.78 -54.29 29.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 178.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -57.5 -39.0 75.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.238 -176.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -84.26 -54.75 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.197 -175.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -100.44 -43.14 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.216 -167.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.02 -178.15 17.24 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.9 -44.61 95.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.784 0.326 . . . . 0.0 111.22 -174.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -50.59 -45.85 57.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.267 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.03 87.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 177.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.71 -33.36 75.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.238 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -80.97 -40.34 24.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 -178.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 98.3 p -84.31 -23.58 30.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.21 -175.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.81 54.26 2.09 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.01 -173.39 38.42 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -178.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -59.61 139.21 87.88 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.668 1.579 . . . . 0.0 111.256 -177.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.1 t -85.45 127.38 34.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.155 175.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -78.95 69.95 5.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.47 169.42 12.89 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -176.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo . . . . . 0 C--O 1.199 -1.436 0 C-N-CA 121.56 1.507 . . . . 0.0 111.228 -179.616 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.742 0.306 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 57.4 t -108.33 97.77 6.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -77.99 -39.84 41.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.259 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -122.51 141.83 51.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.232 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.8 p -121.07 11.25 10.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.195 -179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -56.28 -48.12 77.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.188 -174.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.47 -32.45 68.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.163 -176.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -68.86 -34.45 75.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.196 176.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.61 -35.93 73.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.188 177.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.3 mt -61.41 -41.21 96.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 175.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.7 mt -79.61 -27.94 41.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.211 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.5 42.26 10.46 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.134 -0.787 . . . . 0.0 111.134 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.9 p -144.4 138.92 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.741 0.305 . . . . 0.0 111.258 -175.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.2 t -64.22 143.88 98.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.199 -178.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.83 -10.4 26.28 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.725 1.617 . . . . 0.0 111.177 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.9 p -77.43 -11.82 59.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.246 173.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.45 151.83 40.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.268 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -83.23 179.2 7.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.193 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.9 -40.9 98.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 -169.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -67.27 -39.74 86.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.33 -36.08 78.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.219 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.61 -39.79 95.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 175.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.05 -43.84 97.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -59.32 -38.41 80.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.2 -46.15 93.16 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 174.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -60.75 -46.34 90.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.331 . . . . 0.0 111.206 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.55 -42.08 77.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 -178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.75 -46.3 79.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.229 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.9 -35.83 81.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.3 -40.5 97.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.01 -40.62 91.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.209 173.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.28 -44.62 84.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -107.59 23.97 13.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.238 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -65.61 132.7 95.03 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 -176.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -54.3 -33.95 78.11 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.722 1.615 . . . . 0.0 111.216 -174.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -92.48 9.62 33.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.226 -170.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -109.05 157.28 37.44 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.178 176.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -55.85 -31.63 81.81 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.654 1.569 . . . . 0.0 111.248 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.3 p -99.19 20.17 13.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.226 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.98 142.43 48.49 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -153.28 103.66 2.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.767 0.318 . . . . 0.0 111.234 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.5 m -59.78 -42.15 92.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 -173.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -59.31 -51.96 67.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.227 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.97 -33.89 72.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.188 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -62.44 -40.69 97.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.126 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.98 -43.13 99.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 175.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.62 -46.68 88.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.204 -177.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 pt -73.66 -25.11 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.0 m -70.98 -40.11 72.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.182 176.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -62.36 -47.32 84.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.26 170.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.65 -46.78 74.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' ASN . 67.2 t80 -59.61 -53.48 57.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -52.88 -48.34 67.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.215 -177.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.93 -42.22 88.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 97.1 mt -86.54 -7.0 58.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 -174.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.9 t30 -81.51 -57.94 3.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 173.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -64.19 116.78 30.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 175.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -52.41 -36.18 68.35 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.666 1.578 . . . . 0.0 111.128 -177.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -68.8 -43.4 75.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 -178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.04 -36.56 69.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.181 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.8 ttp-105 -63.97 -44.02 94.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.216 177.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -57.48 -50.34 73.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.212 174.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.27 -41.08 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.204 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -59.75 -55.52 33.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.203 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -71.1 -28.98 64.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.097 -175.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -80.9 -39.81 25.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 -176.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -120.15 -48.62 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.188 -170.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 140.2 -178.8 19.6 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.5 tp -62.68 -49.99 72.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 111.233 -175.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -61.59 -32.23 72.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -176.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.33 84.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.241 172.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.87 -34.99 78.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.224 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -70.16 -34.33 72.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 177.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.9 p -78.87 -22.62 45.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.22 39.06 13.31 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 175.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 172.37 179.62 43.33 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -57.08 142.25 94.22 Favored 'Trans proline' 0 C--N 1.327 -0.574 0 C-N-CA 121.768 1.645 . . . . 0.0 111.093 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.1 t -101.1 109.49 21.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.243 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -154.09 160.77 42.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.186 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.55 -176.87 38.65 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo . . . . . 0 C--O 1.2 -1.381 0 C-N-CA 121.726 1.617 . . . . 0.0 111.263 -178.006 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.455 ' OG ' ' N ' ' A' ' 2' ' ' VAL . 97.7 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.765 0.317 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.455 ' N ' ' OG ' ' A' ' 1' ' ' SER . 35.3 m -127.34 162.43 32.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 -178.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -68.63 -59.19 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -109.27 146.63 33.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.282 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.1 p -115.23 5.18 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.162 -179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.38 -50.73 61.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.22 -173.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.7 mt -72.24 -32.68 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 -175.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -69.24 -33.58 73.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.19 175.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -74.38 -34.59 63.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.217 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.4 mt -62.23 -41.57 98.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 174.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.2 mt -78.78 -29.51 45.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.208 178.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.68 43.17 9.32 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 p -140.71 142.88 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 111.193 -174.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.4 t -61.76 142.78 94.55 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -70.78 -12.91 31.64 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.728 1.619 . . . . 0.0 111.166 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 86.0 p -78.4 -11.62 59.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.217 176.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.5 147.43 46.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.271 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -87.17 174.92 8.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 177.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -58.21 -32.64 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 -171.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -68.14 -44.55 75.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.175 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -74.41 -31.07 62.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 99.0 mt -65.57 -36.86 85.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 175.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.13 -44.4 94.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.218 172.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.3 -40.33 81.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.207 176.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.94 -44.87 95.85 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.58 -46.3 90.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 111.135 177.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -56.52 -42.43 78.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.38 -45.8 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.11 85.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.0 95.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.264 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 90.1 mt -66.23 -41.29 90.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.249 174.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -57.5 -45.74 84.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -104.46 22.65 14.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 -176.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 58.8 t-80 -65.59 133.38 95.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 -176.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 34' ' ' HIS . 80.4 Cg_exo -54.32 -33.62 76.89 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.714 1.61 . . . . 0.0 111.149 -174.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -93.08 12.11 25.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.181 -171.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.41 156.5 41.15 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 176.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -55.96 -31.78 83.24 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 121.698 1.599 . . . . 0.0 111.122 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.5 p -99.43 21.4 12.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.152 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -60.23 142.48 47.71 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -152.07 100.69 2.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 111.163 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.9 m -59.88 -42.24 93.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.237 -173.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -57.6 -52.19 66.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -69.67 -33.18 72.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.214 -179.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -60.46 -40.05 89.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.17 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.17 -39.23 78.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.242 176.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.79 -43.81 97.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.9 pt -74.47 -24.82 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 61.8 m -70.09 -40.14 75.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.186 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -62.96 -47.89 81.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 170.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.8 -45.64 70.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ASN . 57.5 t80 -59.63 -55.3 36.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 178.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -52.38 -48.0 65.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -176.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 97.4 mt -67.27 -42.76 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.268 -178.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.0 mt -87.48 -6.37 58.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.237 -174.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.0 t30 -80.76 -56.68 3.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 174.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -66.76 116.09 31.38 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.174 174.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -52.44 -35.3 65.13 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.715 1.61 . . . . 0.0 111.213 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -70.47 -43.69 69.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.154 -177.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.4 -38.52 81.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.208 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -62.03 -44.94 95.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.21 177.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -54.34 -46.86 73.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.18 -45.58 92.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -62.46 -50.34 71.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.187 178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -60.55 -37.38 81.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 -175.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -87.16 -38.84 16.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 -173.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -117.09 -45.17 2.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -167.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.68 -177.12 16.93 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 174.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 59.4 tp -64.25 -45.03 89.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.868 0.366 . . . . 0.0 111.211 -174.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.35 -47.5 47.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.257 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.37 89.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 178.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.96 -36.3 79.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.266 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -78.61 -40.33 34.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.21 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.8 p -81.87 -22.22 37.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 -175.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.69 141.98 9.37 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -177.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.65 170.0 49.63 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -176.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -75.75 154.46 39.05 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 C-N-CA 121.689 1.592 . . . . 0.0 111.221 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.4 t 59.66 -158.94 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -71.01 128.94 37.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.268 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 152.51 -176.04 30.89 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_exo . . . . . 0 C--O 1.2 -1.416 0 C-N-CA 121.693 1.595 . . . . 0.0 111.19 178.927 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.788 0.328 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.2 t -111.53 104.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -71.54 -61.09 1.9 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.211 -176.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -110.28 148.1 32.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.201 -178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.9 p -118.06 4.85 12.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.23 -51.6 57.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.258 -172.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.9 mt -71.48 -33.35 69.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -175.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -68.19 -34.33 76.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.134 175.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -73.95 -34.57 64.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 179.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.0 mt -62.37 -40.95 98.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 175.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.1 mt -79.92 -29.15 39.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.208 178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 80.61 43.34 9.28 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.1 p -141.58 142.04 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.908 0.385 . . . . 0.0 111.1 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.5 t -61.98 142.69 95.15 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.32 -11.16 26.5 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.731 1.621 . . . . 0.0 111.254 179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.1 p -76.44 -12.19 60.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.209 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.87 147.17 45.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.185 178.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -85.97 176.01 8.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -58.97 -32.79 69.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 -172.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -68.31 -44.11 76.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.205 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -74.44 -31.19 62.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.203 179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.23 -36.96 85.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.22 174.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.57 -44.82 93.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.255 172.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.19 -39.39 78.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.266 176.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.57 -44.74 95.35 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 175.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -61.88 -45.11 95.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.804 0.335 . . . . 0.0 111.226 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -56.33 -42.18 77.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.06 -46.33 74.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.254 177.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.82 -35.46 80.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.236 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.32 -40.26 96.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.87 -40.66 91.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.282 173.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.28 -44.88 84.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -107.51 25.1 11.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.202 -177.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -66.12 133.04 94.62 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.24 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -54.09 -33.88 75.66 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.706 1.604 . . . . 0.0 111.231 -174.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -92.76 11.26 27.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.255 -171.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -110.85 156.75 40.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 176.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -55.89 -31.63 82.15 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.633 1.556 . . . . 0.0 111.24 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.3 p -99.42 19.53 15.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.2 -176.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.28 142.5 48.41 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -154.28 104.63 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.249 -179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.8 m -60.55 -43.11 97.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -173.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -58.15 -50.74 72.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.228 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.6 mmmt -69.95 -31.66 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -62.78 -40.18 96.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.269 176.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.85 -38.89 90.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.197 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -61.51 -46.09 91.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.0 pt -74.53 -23.42 18.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.1 m -71.42 -39.16 71.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.181 176.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -64.81 -42.95 94.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.2 170.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.23 -45.04 84.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.208 175.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' A' ' 56' ' ' ASN . 52.6 t80 -59.99 -59.17 5.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.214 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -53.56 -46.91 70.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -175.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 90.8 mt -67.69 -41.17 85.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -177.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 98.3 mt -88.58 -7.96 55.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.217 -176.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 52' ' ' PHE . 52.1 t30 -80.5 -56.11 4.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.271 175.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -62.4 120.31 57.79 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.169 174.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_exo -54.56 -40.25 84.7 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.735 1.623 . . . . 0.0 111.234 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -70.11 -43.4 71.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.255 -176.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.07 -39.33 93.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -62.83 -45.55 92.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 177.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.61 -47.68 81.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.165 175.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.8 mt -58.98 -41.8 84.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -60.85 -50.76 72.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.52 -35.64 78.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 -177.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -85.26 -41.24 15.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.226 -174.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -117.75 -44.92 2.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.222 -166.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 126.81 -172.25 18.4 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 173.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.02 -51.78 68.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 111.257 -172.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.48 -48.54 56.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -172.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.62 -47.99 73.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -178.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.9 -38.55 76.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -177.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -66.81 -42.48 85.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.239 -178.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 92.9 p -78.56 -23.68 46.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.167 177.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.04 41.49 10.34 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.1 164.61 51.51 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -178.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -78.46 177.28 8.94 Favored 'Trans proline' 0 C--N 1.328 -0.548 0 C-N-CA 121.735 1.623 . . . . 0.0 111.192 -179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.6 t -65.64 143.04 57.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.266 173.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -119.81 20.25 12.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.263 -176.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 90.59 -170.69 35.52 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -177.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo . . . . . 0 C--O 1.2 -1.395 0 C-N-CA 121.64 1.56 . . . . 0.0 111.191 -177.8 . . . . . . . . 0 0 . 1 stop_ save_