data_6z5n_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 6z5n _Structure_validation_residue.Date_analyzed 2020-11-20 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 ' 4' ' ' ASP . . . . . . . . . . . . . 59.2 t0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.801 0.334 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -53.11 -40.76 64.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.424 ' CG ' ' HA ' ' A' ' 13' ' ' ARG . 95.1 m-85 -69.72 -32.61 71.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.149 -175.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -76.79 -23.51 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.7 p -85.09 -24.77 27.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 174.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.1 mt -75.98 -34.01 59.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 167.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.51 47.39 3.76 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.469 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -158.56 178.53 10.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 111.215 178.68 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.71 148.7 36.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -173.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.424 ' HA ' ' CG ' ' A' ' 6' ' ' TYR . 99.5 mtt180 -62.34 -16.13 52.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.221 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.04 20.96 32.49 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.22 174.7 6.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 111.2 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.7 p -99.17 162.66 12.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 -177.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -54.12 -41.31 68.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -63.16 -46.59 86.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -63.77 -36.24 83.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.182 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.91 -38.95 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.04 -46.42 71.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -65.51 -51.18 61.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.233 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.01 -42.25 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.222 174.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -64.17 -41.13 97.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.242 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -55.87 -49.97 71.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.253 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -52.43 -45.4 65.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -73.97 -42.67 60.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 -174.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.1 -35.0 79.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 176.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.87 -38.71 89.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 170.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -60.57 -39.72 89.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.266 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.425 ' HA ' ' HB3' ' A' ' 36' ' ' ASN . 97.7 m-85 -108.6 7.65 26.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.258 -175.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -48.98 139.25 12.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.187 169.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -52.49 -36.33 69.8 Favored 'Trans proline' 0 C--N 1.328 -0.533 0 C-N-CA 121.714 1.609 . . . . 0.0 111.131 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -87.88 8.47 25.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -124.82 -35.05 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.425 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 41.4 t-20 -147.37 120.13 8.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -123.82 88.38 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.274 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -148.67 131.68 8.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.167 -177.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.08 132.39 24.32 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.675 1.583 . . . . 0.0 111.204 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.15 -47.74 1.34 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -174.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.03 -38.26 88.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 0.0 111.22 167.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -54.6 -34.68 62.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 170.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -79.5 -36.96 37.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.35 -40.32 81.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 170.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.52 -40.92 96.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.237 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.81 -42.83 94.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 173.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.17 -37.33 87.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.231 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.5 mt -70.55 -45.42 74.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.35 -39.54 67.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 171.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -66.22 -46.49 77.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.223 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.24 -56.74 5.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 173.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.494 ' O ' ' C ' ' A' ' 53' ' ' ASP . 76.6 t80 -66.54 -46.76 75.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 52' ' ' TYR . 35.9 t70 -27.52 -56.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 176.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 1.5 m -74.18 -33.54 35.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -174.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 55' ' ' LEU . 0.6 OUTLIER -66.06 -29.2 69.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.211 176.656 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 94.9 p -90.86 -23.08 20.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -117.53 109.06 42.33 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.241 -173.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -59.79 -18.04 46.59 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.707 1.604 . . . . 0.0 111.248 -172.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -74.02 -32.43 63.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 -171.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -104.15 -6.61 20.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 172.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 56.6 ttt180 -67.52 -51.88 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.168 178.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -52.08 -38.52 57.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.226 174.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.54 -62.39 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.189 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -42.58 -57.61 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 169.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -56.91 -42.88 80.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -66.76 -55.68 13.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.229 -173.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -111.76 -44.73 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.264 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.84 -150.81 19.14 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.6 mp0 -79.04 -36.32 41.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 111.238 -173.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.8 -29.46 69.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.175 -175.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.17 -3.62 88.47 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 tp -110.49 -27.92 8.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.754 0.312 . . . . 0.0 111.231 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -80.17 -37.85 32.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 178.724 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.763 0.316 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -46.37 142.46 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.256 170.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.697 ' O ' HG23 ' A' ' 93' ' ' THR . 10.3 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.228 -175.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 79.0 t60 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.813 0.34 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.86 -43.09 63.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.224 166.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 67.6 mtt -57.6 -50.24 73.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 169.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.44 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 51.1 t80 -58.78 -50.46 73.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.24 -35.85 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -74.84 -44.38 49.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.22 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.28 -55.63 8.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 -174.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -116.66 -30.05 5.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.188 -170.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.82 27.95 59.81 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.44 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.3 t0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.759 0.314 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 3.9 m-30 -54.71 -39.41 68.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -173.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -70.74 -32.45 69.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.193 -176.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -81.43 -16.05 53.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.7 p -89.39 -26.88 20.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.48 ' HA ' ' HG3' ' A' ' 27' ' ' GLN . 83.6 mt -82.3 -31.57 29.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.27 171.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.29 45.94 5.15 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 175.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -146.45 174.11 11.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.791 0.329 . . . . 0.0 111.23 174.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.62 144.76 37.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.5 ptt-85 -63.49 -14.96 56.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.263 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.86 19.68 30.17 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.18 177.85 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 111.2 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.7 p -100.55 164.62 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -53.55 -40.67 65.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.185 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -66.88 -43.68 82.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.227 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -65.72 -36.27 83.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.441 HG21 ' HB3' ' A' ' 55' ' ' LEU . 81.1 mt -61.52 -41.75 91.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 174.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -67.88 -40.85 83.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -66.1 -48.01 72.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.0 -44.87 71.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.239 173.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -61.88 -45.66 92.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.25 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -54.18 -50.6 66.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.241 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -53.38 -45.17 69.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.48 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 5.8 mm100 -75.89 -41.43 52.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -172.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.01 -32.66 74.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.71 -37.85 85.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.232 168.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -61.99 -41.01 97.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -105.56 11.24 32.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 -175.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.4 t-80 -52.52 139.15 39.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.223 167.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -52.42 -36.02 67.8 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.66 1.573 . . . . 0.0 111.204 -175.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -90.18 9.26 29.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 -176.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -123.96 -36.12 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -149.9 110.21 4.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -123.08 36.84 4.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -85.47 150.98 55.36 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.194 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.53 124.09 15.43 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.721 1.614 . . . . 0.0 111.247 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.16 -23.63 35.58 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.47 77.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.841 0.353 . . . . 0.0 111.217 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.77 -42.98 68.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.264 172.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -74.39 -34.02 63.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.214 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.71 -32.42 73.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 174.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.15 -37.82 81.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.149 172.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.2 mttt -62.57 -38.22 89.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 172.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -57.87 -39.54 78.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.279 173.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.4 mm -65.98 -41.79 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 174.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -45.62 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 173.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 53' ' ' ASP . 15.4 pt-20 -42.63 -34.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 177.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.523 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -68.84 -32.06 71.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -177.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 56' ' ' SER . 31.4 t80 -99.44 -40.4 7.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.172 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.411 ' HB2' ' HA ' ' A' ' 50' ' ' GLU . 92.1 m-20 -31.21 -54.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 164.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.503 HG13 ' HA ' ' A' ' 61' ' ' ARG . 43.9 t -60.09 -42.95 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.441 ' HB3' HG21 ' A' ' 20' ' ' ILE . 67.9 mt -94.73 -1.76 52.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.253 -167.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 52' ' ' TYR . 79.4 p -109.22 -28.52 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 173.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -123.67 117.36 27.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.217 -172.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -57.47 -18.82 33.43 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.62 1.547 . . . . 0.0 111.207 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -66.16 -36.4 83.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.19 -175.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -103.99 -9.24 19.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.503 ' HA ' HG13 ' A' ' 54' ' ' VAL . 80.3 ttt180 -57.51 -62.34 1.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.264 172.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -51.98 -38.26 56.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.251 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.4 -68.73 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.274 -174.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' GLY . 63.8 t80 -42.9 -58.21 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 170.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -50.56 -42.95 56.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -71.58 -56.37 6.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 -175.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -106.39 -44.24 4.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 -174.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . 117.51 -142.44 17.27 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -75.0 -45.45 41.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 111.235 -174.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.8 mp0 -60.17 -27.21 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.71 -4.68 88.79 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.5 tp -114.32 -23.34 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.176 176.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -71.5 -57.27 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 169.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.495 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -175.685 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 92' ' ' TYR . 38.8 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.802 0.334 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.434 ' N ' ' OG ' ' A' ' 91' ' ' SER . 67.3 m-85 -95.45 150.54 20.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.224 -173.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 99.1 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 173.072 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 71.4 t60 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.744 0.307 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.63 72.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 77.9 mtm -56.68 -46.9 80.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.466 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 30.9 t80 -64.29 -51.28 64.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.233 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.79 -34.42 67.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.223 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -72.3 -46.89 53.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.28 -53.32 17.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 -174.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -118.35 -32.04 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.214 -169.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 78.1 24.98 62.74 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.466 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . . . . . . 0 CA--C 1.523 0.549 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.5 t0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.822 0.344 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 8.8 m-30 -65.61 -25.48 67.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.216 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -79.33 -30.14 42.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -80.43 -15.04 57.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 170.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.7 m -79.07 -32.97 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 171.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 mp -97.06 -12.69 22.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.53 32.01 58.12 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.3 mt -112.3 166.26 11.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 111.258 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.87 154.35 28.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.22 164.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -50.43 -31.69 15.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.82 28.99 13.06 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 -169.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.89 113.29 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.753 0.311 . . . . 0.0 111.194 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.2 p -48.9 162.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -62.08 -26.63 68.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.219 -170.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -69.15 -43.04 75.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -70.23 -33.67 71.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.8 mt -61.29 -42.56 94.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.234 173.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.25 -39.99 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.293 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -65.09 -55.4 19.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.48 -43.45 55.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 173.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -61.47 -44.48 97.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.239 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.527 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 36.1 ttm180 -55.64 -48.07 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 176.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.83 -40.25 94.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -176.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.568 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 5.0 mm-40 -74.54 -39.89 62.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.237 -177.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.24 80.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.0 mt -73.65 -31.98 63.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 172.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -61.89 -37.41 84.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.189 175.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -106.14 13.28 29.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -53.14 136.02 49.24 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.208 168.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -52.51 -35.16 65.4 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.683 1.589 . . . . 0.0 111.172 -176.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -93.99 10.79 32.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -121.89 -39.8 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -146.31 120.41 9.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -131.21 83.95 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 169.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -123.95 152.98 67.4 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -173.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -56.04 117.7 4.38 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.705 1.603 . . . . 0.0 111.184 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.86 -21.59 45.19 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.406 ' HA ' ' HB2' ' A' ' 44' ' ' LYS . . . -62.84 -35.88 81.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 111.201 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.23 -44.77 68.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 171.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -74.31 -33.9 63.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 98.4 mttt -66.15 -28.56 68.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.207 175.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.91 -35.06 59.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.262 174.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 97.5 mttt -62.84 -39.45 94.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 170.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.72 -36.29 69.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.5 mm -71.21 -43.13 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.193 171.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -47.35 -57.95 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.264 175.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -70.34 -34.92 73.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -176.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -51.41 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.254 172.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.607 ' O ' ' N ' ' A' ' 56' ' ' SER . 21.6 t80 -63.17 -39.93 96.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -41.93 -51.27 4.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.515 HG13 ' HA ' ' A' ' 61' ' ' ARG . 43.3 t -61.6 -46.01 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.203 171.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 51' ' ' ALA . 66.6 mt -90.02 7.55 37.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 -168.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 52' ' ' TYR . 95.8 p -124.01 -34.92 2.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 171.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -107.74 115.91 58.27 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.184 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -60.88 -15.37 37.9 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.699 1.599 . . . . 0.0 111.206 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -77.52 -23.41 50.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -172.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -107.21 -10.91 15.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.234 171.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.515 ' HA ' HG13 ' A' ' 54' ' ' VAL . 42.7 ttp85 -58.36 -60.99 2.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 172.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -52.26 -40.61 61.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.227 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.49 -69.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 -173.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -42.51 -56.63 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 174.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -54.72 -44.2 73.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.182 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 -68.6 -53.45 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.211 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -120.34 -44.86 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.241 -177.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.69 -128.51 7.84 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -175.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -83.62 -7.94 59.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.313 . . . . 0.0 111.181 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.56 -31.17 72.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.177 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -114.34 -21.18 5.62 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.7 tp -79.86 -38.88 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 111.184 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -91.36 -33.35 15.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.24 166.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.566 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -171.125 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.6 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.744 0.306 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -97.59 160.03 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 93' ' ' THR . 92.8 m . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 173.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 21.6 m170 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.83 0.348 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.01 -48.32 53.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 -178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 77.6 mtm -54.12 -40.27 67.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.259 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.527 ' CE1' ' HA ' ' A' ' 25' ' ' ARG . 13.2 t80 -75.52 -43.73 47.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.181 -178.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.48 -34.04 60.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.197 175.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -74.87 -39.89 61.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 175.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -72.8 -59.35 2.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.401 ' HB3' ' CE1' ' A' ' 102' ' ' PHE . 82.1 t80 -115.56 -35.06 4.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 -170.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.97 36.91 9.65 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -174.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.438 ' HA3' ' CE2' ' A' ' 102' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 170.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.5 t0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.821 0.344 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.515 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 4.7 m-30 -59.11 -35.73 73.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.244 -177.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -76.39 -31.83 58.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.287 -173.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -80.77 -18.78 46.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 172.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.3 m -75.79 -39.55 56.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.252 171.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.449 ' HA ' ' HG3' ' A' ' 27' ' ' GLN . 76.9 mt -84.37 -27.3 27.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 -178.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.9 46.47 6.26 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -144.77 172.67 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 111.213 173.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.21 148.64 37.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 ptt-85 -63.92 -18.02 63.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.19 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.74 22.44 33.84 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.17 115.61 13.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 111.14 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.0 p -48.81 163.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 171.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HA ' HD12 ' A' ' 20' ' ' ILE . 99.9 m-20 -65.46 -26.2 67.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -167.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.88 -36.54 72.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 82.4 mm-40 -73.9 -28.22 61.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 173.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 17' ' ' ASP . 90.3 mt -68.63 -46.89 79.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 173.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -48.8 -50.94 31.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.178 171.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -62.68 -58.52 7.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.72 -46.54 29.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -65.82 -44.81 84.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -54.83 -49.78 70.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -52.43 -46.29 66.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.259 175.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.449 ' HB3' HD13 ' A' ' 48' ' ' ILE . 54.7 mm-40 -70.79 -45.5 64.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 -174.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.52 -34.31 77.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.63 -41.48 98.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 170.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -63.62 -41.51 98.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.222 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.458 ' HA ' ' HB3' ' A' ' 36' ' ' ASN . 67.4 m-85 -103.92 7.54 36.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -174.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -49.2 139.37 13.45 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 167.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -52.17 -36.47 66.83 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.745 1.63 . . . . 0.0 111.202 -175.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -87.91 8.81 24.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.242 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.11 -29.21 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.458 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 62.2 t-20 -154.08 109.68 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 177.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -120.12 89.98 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -149.09 130.19 7.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.198 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -54.97 129.28 34.44 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.651 1.567 . . . . 0.0 111.221 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.62 -47.4 1.32 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.24 84.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 111.177 166.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -54.83 -34.92 63.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 169.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -79.17 -35.87 41.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.226 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -58.99 -35.69 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 171.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.7 -38.14 83.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 175.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.72 -40.19 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 171.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.49 -37.37 85.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 174.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.449 HD13 ' HB3' ' A' ' 27' ' ' GLN . 80.4 mt -66.47 -46.09 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.208 172.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.21 -41.22 60.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.193 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -69.95 -41.23 74.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 174.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.515 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -56.33 -26.31 52.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 56' ' ' SER . 13.5 t80 -98.64 -40.74 8.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -30.99 -54.63 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 166.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.432 HG13 ' HA ' ' A' ' 61' ' ' ARG . 37.6 t -62.57 -44.62 99.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 177.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.423 ' HB3' HG21 ' A' ' 20' ' ' ILE . 74.9 mt -89.17 -2.92 58.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -168.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 52' ' ' TYR . 88.0 p -113.3 -21.99 10.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 175.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -120.47 115.19 32.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.236 -173.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -59.0 -18.74 44.63 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.66 1.573 . . . . 0.0 111.177 -174.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -77.17 -25.19 51.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 -172.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -108.9 -10.47 15.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.204 172.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.432 ' HA ' HG13 ' A' ' 54' ' ' VAL . 15.9 tpt180 -67.96 -50.09 57.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 174.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -55.93 -39.89 72.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.271 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.3 mt -71.41 -69.72 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -175.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -39.22 -55.88 1.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -59.7 -44.5 93.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.232 -173.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -83.09 -23.73 32.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.206 -173.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -125.5 -65.84 0.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.201 -175.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.12 -151.56 20.3 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -74.49 -42.73 58.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 111.21 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.79 -34.28 75.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.245 -173.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.1 -10.74 80.02 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.0 tp -98.53 -33.85 10.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 111.24 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -79.34 -39.39 32.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 174.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.636 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 -172.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.7 p . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.758 0.313 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -44.92 144.6 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 172.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.731 ' O ' HG23 ' A' ' 93' ' ' THR . 11.7 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 -170.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.4 t60 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.716 0.293 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.88 -41.85 25.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 169.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -59.39 -40.68 87.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 168.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -62.96 -47.21 84.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 175.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.405 ' HA ' ' HA2' ' A' ' 107' ' ' GLY . . . -54.53 -33.93 60.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 174.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -76.17 -42.88 45.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 176.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.99 -55.2 8.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.232 -174.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -118.49 -33.73 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.237 -172.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 103' ' ' ALA . . . 74.22 19.88 79.74 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -177.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.535 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -172.346 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 53.1 t0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.435 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 5.6 m-30 -61.98 -27.69 69.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -172.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -75.62 -32.21 60.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -71.21 -24.2 62.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.5 p -94.27 -27.54 16.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -177.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.6 tp -82.58 -39.09 22.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.176 173.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.58 32.04 4.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 173.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.4 mt -130.57 174.15 10.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.27 160.53 21.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 166.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -66.23 -14.2 61.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.2 20.99 13.59 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -174.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.89 172.78 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 111.183 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.5 p -100.12 160.48 14.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 -174.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -53.45 -43.23 67.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.42 -47.61 83.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.28 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -61.03 -40.21 92.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.03 -43.23 92.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.194 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.41 -47.42 79.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -64.19 -52.97 56.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.98 -47.21 52.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.221 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ARG . 78.6 t80 -64.78 -59.34 4.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 -177.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' TYR . 15.0 ttm180 -26.47 -62.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.212 166.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -56.39 -42.88 78.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -75.75 -43.85 44.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 -174.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.25 -34.66 76.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.195 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.9 mt -64.57 -38.93 92.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 169.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -61.35 -40.48 94.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -105.28 8.66 33.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.223 -176.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -51.18 139.84 23.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 169.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -52.13 -36.86 67.94 Favored 'Trans proline' 0 N--CA 1.458 -0.618 0 C-N-CA 121.73 1.62 . . . . 0.0 111.231 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -87.44 7.62 28.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -176.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -124.32 -33.83 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -175.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -146.84 126.23 13.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.22 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -129.05 85.11 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -139.24 140.62 26.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -72.69 127.15 12.07 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.716 1.611 . . . . 0.0 111.205 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.42 -39.93 2.7 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.29 87.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.254 167.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -54.52 -36.82 64.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 169.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -77.28 -37.54 52.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.232 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -56.64 -39.75 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.203 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.28 -37.99 89.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.6 mttt -65.21 -40.24 93.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 173.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -60.86 -31.63 71.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 173.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.5 mt -77.3 -38.98 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 173.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -50.06 -41.42 47.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.222 168.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -70.27 -40.34 74.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.185 172.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.87 -32.49 67.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.552 ' O ' ' N ' ' A' ' 56' ' ' SER . 44.5 t80 -97.1 -45.63 6.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.216 -175.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -35.18 -44.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 163.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.476 HG13 ' HA ' ' A' ' 61' ' ' ARG . 41.3 t -65.1 -63.21 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 170.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.531 HD13 ' HA ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -72.36 -7.33 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.244 -167.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.552 ' N ' ' O ' ' A' ' 52' ' ' TYR . 96.5 p -100.24 -16.12 17.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.218 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -134.15 116.24 13.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -171.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -59.64 -14.92 28.53 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.742 1.628 . . . . 0.0 111.121 -173.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -76.41 -29.01 56.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.258 -170.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -112.16 -6.43 14.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.21 172.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.476 ' HA ' HG13 ' A' ' 54' ' ' VAL . 42.0 ttm180 -59.94 -55.99 27.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.218 173.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -54.35 -41.64 69.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.18 -72.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.221 -170.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 5' ' ' TYR . 19.5 t80 -41.95 -53.62 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.216 176.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.67 -50.86 39.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -170.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -85.78 -32.99 21.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 -169.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -119.53 5.22 11.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 -168.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.47 170.32 46.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 25.9 pm0 -83.41 -20.97 33.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 111.175 178.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.12 -28.49 69.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.85 -9.28 85.64 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.5 tp -97.36 -30.6 12.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 111.206 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -86.99 -35.14 18.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.609 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -169.66 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.2 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.768 0.318 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -55.31 153.99 6.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 170.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 93' ' ' THR . 63.5 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.4 t60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.78 0.324 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.18 -40.36 24.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.263 169.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 88.0 mtp -59.63 -45.01 93.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 167.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -57.85 -50.47 73.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 174.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.96 -34.49 63.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -74.35 -43.81 55.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -70.66 -57.42 4.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 -174.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -118.52 -29.17 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -168.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 74.17 28.19 64.7 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.512 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.151 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 p30 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.764 0.316 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.442 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 5.9 m-30 -66.62 -25.42 66.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.185 -168.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -77.5 -35.18 53.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.216 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -85.97 -17.88 34.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 174.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.9 m -79.51 -34.82 40.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 171.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.3 tp -77.6 -44.93 26.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 176.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.97 41.79 1.38 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.0 mt -136.67 177.84 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.339 . . . . 0.0 111.225 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.8 154.66 27.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 166.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.3 ptt-85 -63.95 -13.32 45.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.267 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.5 19.79 21.46 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.05 171.47 4.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.221 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.2 p -99.39 160.95 13.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.209 -174.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -55.03 -41.74 71.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.78 -48.25 79.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -60.61 -38.53 85.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.62 -42.2 95.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.225 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.68 -45.27 87.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -63.12 -51.54 66.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.07 -42.87 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.172 174.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -61.01 -43.51 98.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.238 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -54.74 -47.93 73.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 174.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -55.42 -45.67 76.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -76.6 -40.53 49.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 -171.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 175.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.28 -36.22 79.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.181 169.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -60.03 -41.76 92.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -106.27 5.68 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.256 -175.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 -49.68 138.35 17.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 174.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -52.1 -36.96 67.91 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.679 1.586 . . . . 0.0 111.158 -176.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -89.86 10.61 23.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.221 -176.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -124.44 -38.57 2.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -147.79 116.37 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -174.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -121.45 90.76 3.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.24 177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -146.15 125.07 6.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -55.52 128.73 31.63 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.736 1.624 . . . . 0.0 111.205 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.15 -44.68 1.58 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -177.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.35 80.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.186 167.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -54.91 -37.01 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.242 168.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -76.49 -37.04 57.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.268 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -56.24 -39.46 72.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 170.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -61.53 -38.63 88.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 173.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.2 mttt -65.57 -37.58 87.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.272 173.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.34 -38.79 84.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.261 171.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.3 mm -61.31 -42.66 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 174.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -49.06 -65.76 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 171.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -38.94 -48.6 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 170.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.431 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -62.59 -31.45 72.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.202 -174.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.616 ' O ' ' N ' ' A' ' 56' ' ' SER . 15.7 t80 -96.87 -43.55 7.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ALA . 95.0 m-20 -33.22 -50.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 164.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.464 HG13 ' HA ' ' A' ' 61' ' ' ARG . 43.1 t -61.98 -49.24 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 173.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.0 mt -94.45 2.59 55.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 -166.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.616 ' N ' ' O ' ' A' ' 52' ' ' TYR . 95.9 p -112.28 -18.67 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 172.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -133.38 118.95 15.09 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 -172.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -58.24 -17.37 32.31 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.779 1.653 . . . . 0.0 111.244 -174.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -69.4 -33.74 73.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.246 -171.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.689 ' NZ ' ' OG1' ' A' ' 93' ' ' THR . 99.5 mttt -106.03 -11.76 16.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 174.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.464 ' HA ' HG13 ' A' ' 54' ' ' VAL . 16.7 tpt180 -57.16 -60.43 3.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.217 175.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -51.66 -41.44 61.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.83 -66.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.176 -171.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -42.54 -54.08 4.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.45 -37.8 82.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.253 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -66.5 -53.92 29.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.244 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -115.69 -46.3 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.23 -176.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.65 -155.1 21.77 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.2 pm0 -84.52 -18.19 36.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 0.0 111.186 -173.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.2 -27.86 67.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.18 -5.49 87.3 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.3 mt -109.47 -27.38 9.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 111.176 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.411 ' HG3' ' HA ' ' A' ' 91' ' ' SER . 87.9 tttt -81.5 -46.09 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.206 175.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.566 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -174.032 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.411 ' HA ' ' HG3' ' A' ' 73' ' ' LYS . 21.8 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.811 0.338 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -81.53 147.78 29.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.254 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.689 ' OG1' ' NZ ' ' A' ' 60' ' ' LYS . 67.8 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.8 t60 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.799 0.333 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.43 -56.51 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.265 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 78.3 mtm -55.87 -55.72 29.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.474 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 41.4 t80 -63.82 -52.31 60.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.187 -174.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.98 -31.53 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -74.51 -44.29 51.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.243 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -72.21 -56.97 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -175.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -115.77 -30.21 6.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 -169.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.78 28.82 58.41 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 173.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.474 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 4' ' ' ASP . 27.9 p30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.795 0.331 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.503 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 3.3 m-30 -61.09 -33.69 73.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 -165.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -67.64 -30.58 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.216 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -86.5 -8.76 57.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.7 p -92.39 -26.29 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.6 mt -85.25 -27.16 26.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 170.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.48 31.5 16.03 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.5 mt -116.97 162.62 17.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.766 0.317 . . . . 0.0 111.233 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.81 151.56 28.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.225 166.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -49.42 -28.99 5.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.216 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.05 23.36 30.95 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -169.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.38 170.11 9.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.727 0.299 . . . . 0.0 111.208 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.9 p -94.82 157.4 15.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.5 -35.09 75.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.81 -46.54 84.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -68.77 -33.3 73.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.43 HG21 ' HB3' ' A' ' 55' ' ' LEU . 72.3 mt -60.78 -39.49 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 172.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.81 -37.15 85.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 175.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.06 -50.7 63.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.5 75.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -63.3 -45.46 91.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -51.88 -58.87 5.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 172.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -58.41 -41.49 85.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -173.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -75.16 -37.27 61.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.194 -173.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.36 70.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.208 172.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.18 -32.87 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.197 169.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -64.5 -35.42 80.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -111.68 10.05 21.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -177.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -49.85 139.67 16.48 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.265 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -52.1 -36.66 66.86 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.704 1.603 . . . . 0.0 111.224 -175.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -88.07 11.48 15.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -126.21 -38.45 2.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -175.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -147.68 115.71 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 -175.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.65 32.74 5.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.235 175.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -81.11 131.79 58.39 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.22 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -53.43 120.12 7.28 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.617 1.545 . . . . 0.0 111.248 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.77 -31.72 8.41 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.443 ' HA ' ' HB2' ' A' ' 44' ' ' LYS . . . -64.06 -31.47 72.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 111.248 173.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.81 -41.01 81.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 170.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -71.75 -34.69 69.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 174.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 98.7 mttt -67.41 -26.3 66.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 173.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -71.16 -38.86 72.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 171.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.1 mttt -61.49 -38.79 88.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.239 171.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -57.98 -42.96 86.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 173.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.8 -42.73 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 172.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -48.07 -53.18 17.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 174.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.417 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 34.8 tt0 -69.08 -30.94 69.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.67 -25.53 68.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.593 ' O ' ' N ' ' A' ' 56' ' ' SER . 32.3 t80 -104.32 -24.97 13.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.198 176.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.417 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 36.5 t0 -51.4 -51.52 54.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 165.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.421 ' HA ' ' HB2' ' A' ' 60' ' ' LYS . 45.0 t -52.12 -46.41 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 168.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.43 ' HB3' HG21 ' A' ' 20' ' ' ILE . 70.9 mt -101.09 0.33 37.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 -162.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 52' ' ' TYR . 88.4 p -105.93 -33.51 7.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 168.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -104.22 114.33 64.42 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 173.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -54.71 -37.13 91.67 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.723 1.615 . . . . 0.0 111.233 -167.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -82.0 8.94 9.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 -161.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.421 ' HB2' ' HA ' ' A' ' 54' ' ' VAL . 63.4 mttp -115.22 -5.57 12.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.242 172.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.419 ' HA ' HG13 ' A' ' 54' ' ' VAL . 78.8 ttt180 -89.66 -35.45 15.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 173.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.93 -12.06 22.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.175 168.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.4 mt -100.82 -57.38 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.17 170.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CD2' HG11 ' A' ' 54' ' ' VAL . 37.6 t80 -47.77 -59.47 3.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.177 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.09 -39.87 95.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -61.04 -55.68 29.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -112.7 -47.56 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 135.97 -154.04 21.71 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.8 pm0 -85.33 -16.78 38.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 111.207 -175.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -61.87 -26.56 68.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.59 -3.61 88.98 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.0 mt -112.13 -21.55 11.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.844 0.355 . . . . 0.0 111.259 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -85.06 -37.65 20.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 170.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.501 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -174.425 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 CA--C 1.523 -0.082 0 CA-C-O 120.74 0.305 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -66.79 142.18 57.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.233 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 97.9 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.25 177.538 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 77.6 m80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.822 0.344 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.83 -54.55 45.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 78.8 mtm -54.82 -53.49 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.228 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.455 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 35.6 t80 -61.6 -52.39 64.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 -177.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.42 -37.55 70.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -68.89 -46.05 69.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -71.14 -58.92 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.237 -175.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -117.29 -23.09 7.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -165.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.16 38.19 87.73 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 169.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.455 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . . . . . . 0 CA--C 1.523 0.573 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.0 t0 . . . . . 0 CA--C 1.523 -0.092 0 CA-C-O 120.827 0.346 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.434 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 9.4 m-30 -56.42 -38.34 71.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -177.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -74.65 -35.01 62.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.221 -173.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -73.42 -16.36 61.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.199 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.5 p -96.34 -28.02 14.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 176.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.2 tp -78.47 -49.62 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.08 29.79 1.73 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.8 mt -128.91 170.48 13.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.156 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.24 158.72 26.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 166.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.1 ptt-85 -66.27 -13.43 60.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.201 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.51 21.23 24.14 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 171.37 5.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 111.21 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.9 p -102.71 160.96 14.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.183 -175.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -56.5 -40.45 74.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.42 -46.34 86.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -68.06 -34.49 76.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.235 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.478 HG21 ' HB3' ' A' ' 55' ' ' LEU . 78.5 mt -62.15 -39.58 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.234 175.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.19 -44.61 75.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -64.49 -56.07 16.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.225 177.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.69 -43.59 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.273 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -62.62 -42.36 99.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.24 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -56.22 -47.02 79.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.223 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -55.66 -46.29 77.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -75.74 -37.85 58.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.58 88.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 174.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.1 mt -66.72 -35.63 80.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.227 170.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -61.05 -40.63 94.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.239 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.467 ' HB3' ' HB2' ' A' ' 45' ' ' PHE . 72.2 m-85 -106.59 4.41 28.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 -175.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -47.87 139.1 9.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.178 174.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -51.85 -36.71 64.24 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.727 1.618 . . . . 0.0 111.205 -176.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -85.2 8.78 17.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.235 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -126.59 -36.24 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.218 -176.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.413 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 43.7 t-20 -149.24 113.42 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.205 -175.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -119.01 97.3 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.237 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -156.54 133.69 6.58 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.03 129.94 17.03 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.736 1.624 . . . . 0.0 111.2 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.59 -5.9 82.3 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -171.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.18 -34.58 6.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.783 0.325 . . . . 0.0 111.164 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -60.68 -26.33 67.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 160.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -73.56 -38.34 65.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 172.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.66 -40.03 82.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 168.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.467 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 1.7 t80 -59.55 -40.88 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.237 172.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.05 -38.66 92.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.19 176.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.5 -39.27 87.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 173.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.6 mm -67.45 -45.09 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.212 173.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.76 -50.82 43.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.186 171.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 53' ' ' ASP . 44.6 tp10 -61.1 -46.61 89.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.163 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.434 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -44.93 -62.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.224 170.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.518 ' O ' ' N ' ' A' ' 56' ' ' SER . 18.8 t80 -64.82 -39.9 94.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.223 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 50' ' ' GLU . 32.6 t70 -39.31 -52.17 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.204 171.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.449 HG13 ' HA ' ' A' ' 61' ' ' ARG . 45.2 t -62.01 -45.07 99.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.207 172.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.478 ' HB3' HG21 ' A' ' 20' ' ' ILE . 68.1 mt -89.09 5.39 44.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -167.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 52' ' ' TYR . 88.4 p -124.5 -33.01 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 172.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -106.53 114.78 61.66 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -174.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -59.28 -20.97 58.1 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.662 1.575 . . . . 0.0 111.253 -174.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -73.33 -25.52 60.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.239 -171.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -107.11 -10.93 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.449 ' HA ' HG13 ' A' ' 54' ' ' VAL . 79.9 ttt180 -61.15 -58.76 7.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.227 173.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.15 -38.92 63.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.13 -66.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 -175.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -42.07 -57.15 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 172.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -54.84 -44.29 73.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 -177.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -81.38 -25.97 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -171.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -127.22 -56.31 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 -173.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.2 -147.1 17.21 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.6 mp0 -79.13 -46.23 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.149 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -71.1 -23.97 62.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.34 0.27 88.55 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 tp -111.59 -21.19 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.767 0.318 . . . . 0.0 111.176 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -89.45 -31.31 17.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 171.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -177.227 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.754 0.312 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -52.71 149.67 5.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.257 170.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 93' ' ' THR . 86.5 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.25 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.5 t60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.864 0.364 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.71 -49.5 58.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 170.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 74.3 mtm -61.54 -35.3 77.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 174.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.94 -48.89 79.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 172.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.12 -32.5 62.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.16 -42.87 45.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 176.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -70.42 -56.92 5.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.275 -175.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -117.33 -29.56 5.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.265 -170.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.37 27.29 61.86 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.574 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -179.154 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.3 t0 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.788 0.327 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.51 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 8.5 m-30 -53.09 -40.93 64.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 -174.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -71.53 -27.95 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.239 -176.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -69.86 -26.54 64.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.218 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.8 p -89.59 -25.84 21.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.254 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.445 ' HA ' ' HG3' ' A' ' 27' ' ' GLN . 80.4 mt -78.4 -35.06 47.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.227 170.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.47 47.11 3.85 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -148.81 175.84 10.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 111.183 175.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.72 143.32 42.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.15 -24.69 42.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.255 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.96 22.66 31.13 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -175.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.09 174.45 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 111.15 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.1 p -98.57 163.89 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -52.69 -43.32 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -62.86 -47.67 82.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -62.94 -35.51 80.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.0 mt -62.35 -43.4 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 174.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.49 -42.95 98.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.18 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -64.96 -52.57 55.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.22 177.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.52 -43.29 71.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.252 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -64.39 -46.14 84.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.205 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -53.98 -48.89 69.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 177.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -51.65 -44.44 63.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.166 176.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.445 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 54.3 mm-40 -71.07 -46.55 61.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 -174.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.0 74.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.54 -37.0 84.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 170.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.79 -41.09 96.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.25 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.408 ' HA ' ' HB3' ' A' ' 36' ' ' ASN . 93.6 m-85 -104.37 9.08 35.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.256 -174.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -50.65 139.75 20.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 166.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.41 -36.44 69.4 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.603 1.535 . . . . 0.0 111.244 -175.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -88.65 9.09 25.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -126.09 -30.8 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.215 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.408 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 23.1 t-20 -148.18 125.39 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 176.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -126.77 85.36 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -138.94 140.73 27.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -177.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.15 130.44 16.48 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.648 1.565 . . . . 0.0 111.197 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.8 -41.59 2.62 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -176.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.9 -37.74 77.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.707 0.289 . . . . 0.0 111.178 171.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -53.99 -35.17 61.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.229 170.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -82.14 -33.93 29.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.5 -35.0 77.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.184 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.74 -43.01 90.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.2 173.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -58.1 -38.44 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.215 173.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -64.98 -45.24 86.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 174.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.452 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 83.1 mt -64.47 -23.36 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 174.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.73 -31.39 59.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.204 174.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -66.88 -36.24 81.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.184 171.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.51 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -49.53 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.224 170.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.558 ' O ' ' N ' ' A' ' 56' ' ' SER . 11.9 t80 -62.1 -39.26 91.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.251 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -41.48 -53.23 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 170.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.486 HG13 ' HA ' ' A' ' 61' ' ' ARG . 50.3 t -59.33 -45.04 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 173.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 51' ' ' ALA . 77.2 mt -90.92 -8.07 50.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -164.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 52' ' ' TYR . 98.0 p -109.29 -31.69 7.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 174.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -110.57 116.51 52.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.19 -173.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -59.24 -18.77 46.62 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.665 1.577 . . . . 0.0 111.216 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -76.82 -26.09 54.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -171.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -107.96 -11.06 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.246 171.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.486 ' HA ' HG13 ' A' ' 54' ' ' VAL . 39.9 ttm180 -60.78 -55.97 26.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.198 172.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -52.72 -43.58 65.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.88 -69.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -172.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -41.7 -57.84 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 173.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -55.21 -43.51 74.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -68.63 -55.86 10.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.202 -173.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -111.43 -45.54 3.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.268 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.24 -152.2 19.67 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -77.85 -35.91 50.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 -173.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.61 -29.94 70.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.258 -175.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.53 -7.93 87.61 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.4 tp -104.37 -30.14 10.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -85.12 -35.0 22.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 174.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -176.878 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.3 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.758 0.313 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -47.32 144.01 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.186 172.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.716 ' O ' HG23 ' A' ' 93' ' ' THR . 12.7 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.197 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.4 t60 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.758 0.313 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.67 -39.81 26.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 169.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 89.9 mtp -59.62 -45.91 90.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.199 167.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -56.67 -49.94 73.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.252 174.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.22 -34.46 60.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -75.45 -41.7 55.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -73.19 -57.85 3.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.241 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -114.43 -29.31 6.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.205 -170.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 72.64 30.74 63.65 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 179.269 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.1 t0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.82 0.343 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.462 ' CG ' ' HA ' ' A' ' 51' ' ' ALA . 6.9 m-30 -53.84 -39.47 65.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.227 -172.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -76.11 -30.49 58.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -174.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -72.76 -29.59 63.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 170.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.7 m -75.28 -37.24 61.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.1 mt -78.26 -30.78 48.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.223 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.15 50.33 2.45 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.428 ' N ' HD23 ' A' ' 11' ' ' LEU . 2.2 pt? -157.06 179.47 9.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 175.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.96 148.9 36.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -176.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.93 -18.85 65.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.8 20.78 31.08 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -176.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.13 -176.11 2.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.77 0.319 . . . . 0.0 111.173 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.1 p -104.93 165.58 10.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -61.68 -32.43 72.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.92 -46.79 76.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 176.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -68.03 -31.77 71.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.453 HG21 ' HG ' ' A' ' 55' ' ' LEU . 79.3 mt -65.02 -40.44 89.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 173.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.75 -45.48 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -63.1 -49.14 75.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.208 174.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.13 -44.26 15.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 176.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -74.66 -49.51 21.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -36.14 -53.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 170.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -59.88 -57.1 14.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.181 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -66.51 -38.04 86.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.184 -168.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.22 91.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.267 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.6 -37.85 88.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 172.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -62.75 -42.26 99.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.401 ' HA ' ' HB3' ' A' ' 36' ' ' ASN . 71.7 m-85 -106.15 7.17 31.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.287 -175.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -48.8 139.34 11.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 169.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -52.47 -36.62 70.75 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.677 1.585 . . . . 0.0 111.223 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -87.25 9.21 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.45 -29.59 2.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.215 -176.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.401 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 30.0 t-20 -148.04 122.29 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.0 88.13 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -150.61 132.5 7.88 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -69.54 134.06 27.52 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.713 1.608 . . . . 0.0 111.171 177.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.07 -44.93 1.84 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -174.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.36 -35.79 80.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 111.179 162.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -51.68 -36.66 47.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.267 166.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -82.2 -30.9 30.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -66.35 -30.73 71.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 172.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -73.87 -35.38 64.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.216 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 97.7 mttt -62.08 -36.74 82.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.209 168.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.45 -43.33 99.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.198 173.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.52 -46.97 95.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 173.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -41.06 -76.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.229 172.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -45.48 -34.88 3.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.462 ' HA ' ' CG ' ' A' ' 5' ' ' TYR . . . -68.01 -27.98 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.247 -175.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.532 ' O ' ' C ' ' A' ' 53' ' ' ASP . 61.1 t80 -105.0 -46.34 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.204 174.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.532 ' C ' ' O ' ' A' ' 52' ' ' TYR . 37.5 t70 -23.68 -55.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 175.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.466 HG23 HD22 ' A' ' 55' ' ' LEU . 8.7 m -78.1 -25.92 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.226 -171.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.8 mm? -73.94 -31.95 63.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 171.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.415 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 81.3 p -83.96 -15.65 47.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 174.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -121.87 101.76 41.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -65.03 -8.59 18.72 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.72 1.614 . . . . 0.0 111.154 -169.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -76.34 -40.96 49.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.211 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 63' ' ' ILE . 96.1 mttt -85.74 -39.57 17.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.22 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -26.57 -47.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.212 159.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 66' ' ' ARG . 71.6 mm-40 -68.05 -27.15 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.268 -175.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 60' ' ' LYS . 96.8 mt -82.18 -67.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 168.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -49.44 -70.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.249 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.21 -42.73 99.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.225 -168.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 60.7 ttm-85 -64.14 -55.98 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -106.44 -57.2 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -170.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 147.84 -169.07 28.68 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -79.68 -32.39 41.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 111.201 -172.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.39 -26.72 68.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.47 -7.5 87.46 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.0 tp -102.6 -27.54 12.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 111.192 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -89.01 -34.83 16.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.211 172.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.536 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -171.396 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.82 0.343 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -47.55 140.72 5.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.178 169.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 93' ' ' THR . 53.1 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.246 172.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.4 t60 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.81 0.338 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.79 -50.94 72.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.254 166.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 76.7 mtm -60.82 -38.4 85.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.73 -47.79 84.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.52 -33.74 64.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -75.26 -42.61 54.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.18 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -69.8 -56.02 8.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 -177.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -118.39 -31.43 4.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.181 -169.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 79.81 29.24 48.23 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.544 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.177 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mtp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.789 0.328 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.72 137.08 14.03 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -92.56 42.48 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 0.0 111.233 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -61.09 113.76 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -177.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -53.11 -40.76 64.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.424 ' CG ' ' HA ' ' A' ' 13' ' ' ARG . 95.1 m-85 -69.72 -32.61 71.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.149 -175.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -76.79 -23.51 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.7 p -85.09 -24.77 27.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 174.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.1 mt -75.98 -34.01 59.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 167.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.51 47.39 3.76 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.469 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -158.56 178.53 10.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 111.215 178.68 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.71 148.7 36.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -173.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' HA ' ' CG ' ' A' ' 6' ' ' TYR . 99.5 mtt180 -62.34 -16.13 52.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.221 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.04 20.96 32.49 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.22 174.7 6.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 111.2 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.7 p -99.17 162.66 12.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 -177.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -54.12 -41.31 68.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -63.16 -46.59 86.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -63.77 -36.24 83.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.182 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.91 -38.95 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.04 -46.42 71.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -65.51 -51.18 61.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.233 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.01 -42.25 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.222 174.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -64.17 -41.13 97.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.242 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -55.87 -49.97 71.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.253 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -52.43 -45.4 65.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -73.97 -42.67 60.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 -174.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.1 -35.0 79.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 176.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.87 -38.71 89.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 170.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -60.57 -39.72 89.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.266 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.425 ' HA ' ' HB3' ' A' ' 36' ' ' ASN . 97.7 m-85 -108.6 7.65 26.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.258 -175.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -48.98 139.25 12.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.187 169.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -52.49 -36.33 69.8 Favored 'Trans proline' 0 C--N 1.328 -0.533 0 C-N-CA 121.714 1.609 . . . . 0.0 111.131 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -87.88 8.47 25.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -124.82 -35.05 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.425 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 41.4 t-20 -147.37 120.13 8.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -123.82 88.38 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.274 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -148.67 131.68 8.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.167 -177.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.08 132.39 24.32 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.675 1.583 . . . . 0.0 111.204 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.15 -47.74 1.34 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -174.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.03 -38.26 88.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 0.0 111.22 167.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -54.6 -34.68 62.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 170.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -79.5 -36.96 37.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.35 -40.32 81.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 170.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.52 -40.92 96.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.237 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.81 -42.83 94.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 173.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.17 -37.33 87.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.231 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.5 mt -70.55 -45.42 74.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.457 ' HB1' ' HD2' ' A' ' 98' ' ' PRO . . . -54.35 -39.54 67.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 171.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -66.22 -46.49 77.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.223 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.24 -56.74 5.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 173.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.494 ' O ' ' C ' ' A' ' 53' ' ' ASP . 76.6 t80 -66.54 -46.76 75.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 52' ' ' TYR . 35.9 t70 -27.52 -56.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 176.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 1.5 m -74.18 -33.54 35.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -174.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 55' ' ' LEU . 0.6 OUTLIER -66.06 -29.2 69.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.211 176.656 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 94.9 p -90.86 -23.08 20.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -117.53 109.06 42.33 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.241 -173.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -59.79 -18.04 46.59 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.707 1.604 . . . . 0.0 111.248 -172.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -74.02 -32.43 63.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 -171.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -104.15 -6.61 20.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 172.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 56.6 ttt180 -67.52 -51.88 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.168 178.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -52.08 -38.52 57.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.226 174.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.54 -62.39 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.189 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -42.58 -57.61 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 169.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -56.91 -42.88 80.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -66.76 -55.68 13.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.229 -173.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -111.76 -44.73 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.264 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.84 -150.81 19.14 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.6 mp0 -79.04 -36.32 41.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 111.238 -173.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.8 -29.46 69.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.175 -175.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.17 -3.62 88.47 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 tp -110.49 -27.92 8.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.754 0.312 . . . . 0.0 111.231 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -80.17 -37.85 32.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 116.88 31.04 1.83 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 82.3 p -136.81 17.93 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.751 0.31 . . . . 0.0 111.196 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.96 -131.61 4.12 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -176.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -54.25 -44.77 46.39 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.702 1.601 . . . . 0.0 111.176 -174.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.1 p -100.55 41.42 1.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.186 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.27 135.19 48.26 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 -171.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 106.73 -39.12 3.0 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 92.4 p -88.86 -20.92 24.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.206 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 42.67 69.27 0.63 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 62.36 -103.17 0.56 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -175.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.39 12.33 23.66 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.84 78.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 111.279 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 68.08 -84.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 173.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -119.56 12.93 10.97 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 92.4 m -99.33 135.8 40.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.713 0.292 . . . . 0.0 111.252 -172.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.4 p -75.46 154.44 37.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 175.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -168.33 122.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -171.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.9 p -91.03 173.63 7.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.192 172.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -46.37 142.46 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.256 170.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.697 ' O ' HG23 ' A' ' 93' ' ' THR . 10.3 t -71.03 73.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.228 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -74.94 -9.82 58.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -52.21 -54.35 32.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.202 166.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.97 86.8 0.01 OUTLIER Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 160.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -120.0 96.75 49.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.335 . . . . 0.0 111.159 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.457 ' HD2' ' HB1' ' A' ' 49' ' ' ALA . 84.1 Cg_endo -78.14 45.64 1.87 Allowed 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.718 1.612 . . . . 0.0 111.175 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -88.93 -21.12 23.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.221 159.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.86 -43.09 63.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.224 166.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 67.6 mtt -57.6 -50.24 73.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 169.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.44 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 51.1 t80 -58.78 -50.46 73.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.24 -35.85 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -74.84 -44.38 49.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.22 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.28 -55.63 8.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 -174.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -116.66 -30.05 5.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.188 -170.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.82 27.95 59.81 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.44 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . 69.52 35.7 75.56 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.3 178.8 6.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 111.198 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 . . . . . 0 C--O 1.2 -1.542 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 179.682 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.5 mmm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.781 0.324 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.41 102.91 0.93 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 21.0 ptmt -162.86 44.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.829 0.347 . . . . 0.0 111.239 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -154.94 115.35 3.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 -173.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 3.9 m-30 -54.71 -39.41 68.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -173.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -70.74 -32.45 69.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.193 -176.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -81.43 -16.05 53.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.7 p -89.39 -26.88 20.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.48 ' HA ' ' HG3' ' A' ' 27' ' ' GLN . 83.6 mt -82.3 -31.57 29.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.27 171.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.29 45.94 5.15 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 175.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -146.45 174.11 11.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.791 0.329 . . . . 0.0 111.23 174.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.62 144.76 37.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.5 ptt-85 -63.49 -14.96 56.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.263 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.86 19.68 30.17 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.18 177.85 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 111.2 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.7 p -100.55 164.62 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -53.55 -40.67 65.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.185 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -66.88 -43.68 82.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.227 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -65.72 -36.27 83.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.441 HG21 ' HB3' ' A' ' 55' ' ' LEU . 81.1 mt -61.52 -41.75 91.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 174.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -67.88 -40.85 83.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -66.1 -48.01 72.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.0 -44.87 71.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.239 173.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -61.88 -45.66 92.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.25 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -54.18 -50.6 66.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.241 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -53.38 -45.17 69.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.48 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 5.8 mm100 -75.89 -41.43 52.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -172.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.01 -32.66 74.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.71 -37.85 85.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.232 168.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -61.99 -41.01 97.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -105.56 11.24 32.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 -175.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.4 t-80 -52.52 139.15 39.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.223 167.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -52.42 -36.02 67.8 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.66 1.573 . . . . 0.0 111.204 -175.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -90.18 9.26 29.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 -176.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -123.96 -36.12 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -149.9 110.21 4.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -123.08 36.84 4.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -85.47 150.98 55.36 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.194 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.53 124.09 15.43 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.721 1.614 . . . . 0.0 111.247 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.16 -23.63 35.58 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.47 77.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.841 0.353 . . . . 0.0 111.217 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.77 -42.98 68.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.264 172.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -74.39 -34.02 63.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.214 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.71 -32.42 73.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 174.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.15 -37.82 81.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.149 172.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.2 mttt -62.57 -38.22 89.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 172.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -57.87 -39.54 78.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.279 173.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.4 mm -65.98 -41.79 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 174.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -45.62 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 173.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 53' ' ' ASP . 15.4 pt-20 -42.63 -34.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 177.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.523 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -68.84 -32.06 71.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -177.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 56' ' ' SER . 31.4 t80 -99.44 -40.4 7.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.172 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' HB2' ' HA ' ' A' ' 50' ' ' GLU . 92.1 m-20 -31.21 -54.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 164.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.503 HG13 ' HA ' ' A' ' 61' ' ' ARG . 43.9 t -60.09 -42.95 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.441 ' HB3' HG21 ' A' ' 20' ' ' ILE . 67.9 mt -94.73 -1.76 52.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.253 -167.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 52' ' ' TYR . 79.4 p -109.22 -28.52 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 173.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -123.67 117.36 27.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.217 -172.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -57.47 -18.82 33.43 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.62 1.547 . . . . 0.0 111.207 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -66.16 -36.4 83.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.19 -175.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -103.99 -9.24 19.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.503 ' HA ' HG13 ' A' ' 54' ' ' VAL . 80.3 ttt180 -57.51 -62.34 1.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.264 172.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -51.98 -38.26 56.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.251 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.4 -68.73 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.274 -174.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' GLY . 63.8 t80 -42.9 -58.21 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 170.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -50.56 -42.95 56.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -71.58 -56.37 6.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 -175.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -106.39 -44.24 4.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 -174.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . 117.51 -142.44 17.27 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -75.0 -45.45 41.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 111.235 -174.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.8 mp0 -60.17 -27.21 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.71 -4.68 88.79 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.5 tp -114.32 -23.34 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.176 176.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -71.5 -57.27 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 169.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.59 56.08 5.04 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -175.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.9 p -114.02 18.82 16.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 0.0 111.192 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.91 176.9 19.92 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -177.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -80.1 68.37 8.33 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.704 1.603 . . . . 0.0 111.207 -175.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.8 m -63.08 124.78 22.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -177.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.66 -18.95 49.14 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -178.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -106.45 26.7 19.21 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.8 t -56.08 143.68 31.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 111.15 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.92 85.75 0.78 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -175.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.76 21.94 13.29 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -103.26 -137.03 9.28 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.86 157.11 37.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.743 0.306 . . . . 0.0 111.199 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -51.24 127.98 20.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.28 -20.34 42.97 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.9 m -48.78 99.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 111.239 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.0 t -72.26 135.06 45.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -75.4 132.62 41.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 174.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.434 ' OG ' ' N ' ' A' ' 92' ' ' TYR . 38.8 t -56.08 -156.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 171.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.434 ' N ' ' OG ' ' A' ' 91' ' ' SER . 67.3 m-85 -95.45 150.54 20.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.224 -173.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 99.1 m -68.81 79.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 173.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -76.27 133.37 40.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -82.74 72.72 9.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 -173.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.52 -117.78 0.82 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -93.64 109.1 38.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 111.184 -171.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -77.17 -8.61 17.62 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.711 1.607 . . . . 0.0 111.219 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -92.75 -22.68 19.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 -169.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.63 72.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 77.9 mtm -56.68 -46.9 80.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.466 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 30.9 t80 -64.29 -51.28 64.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.233 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.79 -34.42 67.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.223 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -72.3 -46.89 53.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.28 -53.32 17.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 -174.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -118.35 -32.04 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.214 -169.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 78.1 24.98 62.74 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.466 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . 68.9 39.52 85.29 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -137.04 175.21 9.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 111.224 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.245 177.816 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.773 0.321 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.53 151.62 15.42 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -105.68 118.11 35.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.774 0.321 . . . . 0.0 111.227 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -57.05 118.55 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.209 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 8.8 m-30 -65.61 -25.48 67.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.216 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -79.33 -30.14 42.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -80.43 -15.04 57.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 170.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.7 m -79.07 -32.97 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 171.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 mp -97.06 -12.69 22.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.53 32.01 58.12 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.3 mt -112.3 166.26 11.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 111.258 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.87 154.35 28.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.22 164.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -50.43 -31.69 15.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.82 28.99 13.06 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 -169.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.89 113.29 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.753 0.311 . . . . 0.0 111.194 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.2 p -48.9 162.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -62.08 -26.63 68.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.219 -170.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -69.15 -43.04 75.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -70.23 -33.67 71.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.8 mt -61.29 -42.56 94.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.234 173.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.25 -39.99 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.293 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -65.09 -55.4 19.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.48 -43.45 55.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 173.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -61.47 -44.48 97.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.239 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.527 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 36.1 ttm180 -55.64 -48.07 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 176.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.83 -40.25 94.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -176.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.568 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 5.0 mm-40 -74.54 -39.89 62.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.237 -177.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.24 80.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.0 mt -73.65 -31.98 63.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 172.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -61.89 -37.41 84.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.189 175.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -106.14 13.28 29.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.419 ' NE2' ' O ' ' A' ' 109' ' ' ARG . 61.1 t-80 -53.14 136.02 49.24 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.208 168.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -52.51 -35.16 65.4 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.683 1.589 . . . . 0.0 111.172 -176.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -93.99 10.79 32.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -121.89 -39.8 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -146.31 120.41 9.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -131.21 83.95 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 169.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -123.95 152.98 67.4 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -173.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -56.04 117.7 4.38 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.705 1.603 . . . . 0.0 111.184 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.86 -21.59 45.19 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.406 ' HA ' ' HB2' ' A' ' 44' ' ' LYS . . . -62.84 -35.88 81.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 111.201 -178.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.23 -44.77 68.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 171.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -74.31 -33.9 63.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 98.4 mttt -66.15 -28.56 68.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.207 175.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.91 -35.06 59.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.262 174.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 97.5 mttt -62.84 -39.45 94.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 170.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.72 -36.29 69.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.5 mm -71.21 -43.13 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.193 171.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -47.35 -57.95 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.264 175.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -70.34 -34.92 73.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -176.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -51.41 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.254 172.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.607 ' O ' ' N ' ' A' ' 56' ' ' SER . 21.6 t80 -63.17 -39.93 96.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -41.93 -51.27 4.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.515 HG13 ' HA ' ' A' ' 61' ' ' ARG . 43.3 t -61.6 -46.01 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.203 171.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 51' ' ' ALA . 66.6 mt -90.02 7.55 37.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 -168.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 52' ' ' TYR . 95.8 p -124.01 -34.92 2.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 171.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -107.74 115.91 58.27 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.184 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -60.88 -15.37 37.9 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.699 1.599 . . . . 0.0 111.206 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -77.52 -23.41 50.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -172.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -107.21 -10.91 15.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.234 171.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.515 ' HA ' HG13 ' A' ' 54' ' ' VAL . 42.7 ttp85 -58.36 -60.99 2.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 172.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -52.26 -40.61 61.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.227 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.49 -69.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 -173.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -42.51 -56.63 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 174.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -54.72 -44.2 73.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.182 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 -68.6 -53.45 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.211 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -120.34 -44.86 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.241 -177.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.69 -128.51 7.84 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -175.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -83.62 -7.94 59.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.313 . . . . 0.0 111.181 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.56 -31.17 72.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.177 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -114.34 -21.18 5.62 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.7 tp -79.86 -38.88 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 111.184 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -91.36 -33.35 15.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.24 166.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.4 26.86 16.76 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -171.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.0 p -103.05 22.47 13.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.181 -174.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.68 -176.53 1.12 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -75.36 -23.29 13.36 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.712 1.608 . . . . 0.0 111.179 -172.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.7 p -86.0 167.65 14.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.95 -13.14 9.47 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.0 -25.91 54.53 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 96.5 p -95.63 6.07 49.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.862 0.363 . . . . 0.0 111.259 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.56 -37.33 85.07 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -175.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.91 -106.39 2.27 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -105.75 6.59 41.19 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.23 -15.77 59.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 111.229 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -103.29 152.02 22.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.17 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 68.3 -83.77 0.19 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.6 m -63.82 139.49 58.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 111.138 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.6 t -55.91 130.05 42.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -154.64 134.95 13.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -169.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.6 t -111.36 -143.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.195 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -97.59 160.03 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 93' ' ' THR . 92.8 m -72.89 67.62 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 173.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -73.99 140.96 45.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.188 174.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -65.82 137.16 57.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.214 172.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.22 -70.23 1.01 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -109.84 84.55 3.45 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 111.27 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -77.76 2.32 7.97 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.684 1.589 . . . . 0.0 111.245 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -92.57 -16.86 25.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.01 -48.32 53.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 -178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 77.6 mtm -54.12 -40.27 67.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.259 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.527 ' CE1' ' HA ' ' A' ' 25' ' ' ARG . 13.2 t80 -75.52 -43.73 47.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.181 -178.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.48 -34.04 60.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.197 175.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -74.87 -39.89 61.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 175.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -72.8 -59.35 2.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.401 ' HB3' ' CE1' ' A' ' 102' ' ' PHE . 82.1 t80 -115.56 -35.06 4.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 -170.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.97 36.91 9.65 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -174.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.438 ' HA3' ' CE2' ' A' ' 102' ' ' PHE . . . -81.38 65.02 4.08 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 170.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.419 ' O ' ' NE2' ' A' ' 32' ' ' HIS . 80.0 ttt180 -48.38 110.85 0.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.754 0.311 . . . . 0.0 111.242 -167.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 179.521 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mtp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.822 0.344 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.07 -157.76 33.19 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.294 -0.723 . . . . 0.0 111.294 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -120.53 108.95 14.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.745 0.307 . . . . 0.0 111.176 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -76.53 108.35 9.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.23 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.515 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 4.7 m-30 -59.11 -35.73 73.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.244 -177.504 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -76.39 -31.83 58.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.287 -173.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -80.77 -18.78 46.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 172.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.3 m -75.79 -39.55 56.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.252 171.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.449 ' HA ' ' HG3' ' A' ' 27' ' ' GLN . 76.9 mt -84.37 -27.3 27.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 -178.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.9 46.47 6.26 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -144.77 172.67 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 111.213 173.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.21 148.64 37.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 ptt-85 -63.92 -18.02 63.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.19 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.74 22.44 33.84 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.17 115.61 13.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 111.14 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.0 p -48.81 163.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 171.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.425 ' HA ' HD12 ' A' ' 20' ' ' ILE . 99.9 m-20 -65.46 -26.2 67.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -167.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.88 -36.54 72.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 82.4 mm-40 -73.9 -28.22 61.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 173.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 17' ' ' ASP . 90.3 mt -68.63 -46.89 79.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 173.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -48.8 -50.94 31.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.178 171.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -62.68 -58.52 7.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.72 -46.54 29.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.493 ' OH ' ' O ' ' A' ' 98' ' ' PRO . 65.0 t80 -65.82 -44.81 84.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -54.83 -49.78 70.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -52.43 -46.29 66.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.259 175.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.449 ' HB3' HD13 ' A' ' 48' ' ' ILE . 54.7 mm-40 -70.79 -45.5 64.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 -174.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.52 -34.31 77.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.63 -41.48 98.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 170.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -63.62 -41.51 98.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.222 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.458 ' HA ' ' HB3' ' A' ' 36' ' ' ASN . 67.4 m-85 -103.92 7.54 36.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -174.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -49.2 139.37 13.45 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 167.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -52.17 -36.47 66.83 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.745 1.63 . . . . 0.0 111.202 -175.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -87.91 8.81 24.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.242 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.11 -29.21 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.458 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 62.2 t-20 -154.08 109.68 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 177.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -120.12 89.98 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -149.09 130.19 7.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.198 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -54.97 129.28 34.44 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.651 1.567 . . . . 0.0 111.221 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.62 -47.4 1.32 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.24 84.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 111.177 166.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -54.83 -34.92 63.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 169.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -79.17 -35.87 41.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.226 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -58.99 -35.69 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 171.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.7 -38.14 83.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 175.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.72 -40.19 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 171.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.49 -37.37 85.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 174.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.449 HD13 ' HB3' ' A' ' 27' ' ' GLN . 80.4 mt -66.47 -46.09 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.208 172.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.21 -41.22 60.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.193 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -69.95 -41.23 74.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 174.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.515 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -56.33 -26.31 52.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 56' ' ' SER . 13.5 t80 -98.64 -40.74 8.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -30.99 -54.63 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 166.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.432 HG13 ' HA ' ' A' ' 61' ' ' ARG . 37.6 t -62.57 -44.62 99.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 177.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.423 ' HB3' HG21 ' A' ' 20' ' ' ILE . 74.9 mt -89.17 -2.92 58.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -168.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 52' ' ' TYR . 88.0 p -113.3 -21.99 10.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 175.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -120.47 115.19 32.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.236 -173.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -59.0 -18.74 44.63 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.66 1.573 . . . . 0.0 111.177 -174.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -77.17 -25.19 51.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 -172.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -108.9 -10.47 15.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.204 172.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.432 ' HA ' HG13 ' A' ' 54' ' ' VAL . 15.9 tpt180 -67.96 -50.09 57.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 174.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -55.93 -39.89 72.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.271 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.3 mt -71.41 -69.72 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -175.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -39.22 -55.88 1.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -59.7 -44.5 93.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.232 -173.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -83.09 -23.73 32.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.206 -173.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -125.5 -65.84 0.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.201 -175.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.12 -151.56 20.3 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -74.49 -42.73 58.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 111.21 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.79 -34.28 75.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.245 -173.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.1 -10.74 80.02 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.0 tp -98.53 -33.85 10.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 111.24 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -79.34 -39.39 32.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 174.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.78 46.97 3.54 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 -172.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 81.7 p -137.79 23.13 2.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.77 0.319 . . . . 0.0 111.122 -176.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.51 -176.77 50.56 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -177.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.82 158.37 38.3 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.719 1.613 . . . . 0.0 111.226 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 92.6 p -55.69 -39.47 71.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.33 47.68 1.02 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 169.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -143.05 -19.67 0.22 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.5 p -86.91 -178.17 6.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 111.156 -177.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -102.19 28.18 17.05 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 122.62 -23.66 7.03 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.15 75.13 0.64 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -149.69 49.75 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 111.205 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -103.06 -10.66 18.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.66 -54.76 0.63 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.9 m -97.37 117.25 31.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.781 0.324 . . . . 0.0 111.214 176.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.3 m -104.1 138.98 39.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -79.07 145.17 33.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.222 175.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.7 p -64.17 161.17 16.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -44.92 144.6 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 172.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.731 ' O ' HG23 ' A' ' 93' ' ' THR . 11.7 t -71.17 74.68 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 -170.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -77.91 -3.9 44.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 -175.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -61.29 -56.03 25.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.25 168.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.5 88.23 0.01 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 162.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 97' ' ' ASP . 39.1 t0 -122.78 97.96 43.48 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.808 0.337 . . . . 0.0 111.231 -174.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.493 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 85.9 Cg_endo -77.79 49.06 2.82 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.71 1.606 . . . . 0.0 111.154 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -91.14 -18.86 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 160.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.88 -41.85 25.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 169.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -59.39 -40.68 87.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 168.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -62.96 -47.21 84.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 175.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.405 ' HA ' ' HA2' ' A' ' 107' ' ' GLY . . . -54.53 -33.93 60.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 174.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -76.17 -42.88 45.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 176.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.99 -55.2 8.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.232 -174.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -118.49 -33.73 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.237 -172.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 103' ' ' ALA . . . 74.22 19.88 79.74 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -177.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.84 59.53 3.43 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -153.87 159.84 41.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 111.209 -175.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 . . . . . 0 C--O 1.199 -1.565 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.193 174.1 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.4 mmm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.815 0.341 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.99 79.64 0.61 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -100.07 -30.39 11.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.197 -178.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -103.44 96.55 6.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 174.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.435 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 5.6 m-30 -61.98 -27.69 69.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -172.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -75.62 -32.21 60.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -71.21 -24.2 62.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.5 p -94.27 -27.54 16.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -177.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.6 tp -82.58 -39.09 22.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.176 173.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.58 32.04 4.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 173.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.4 mt -130.57 174.15 10.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.27 160.53 21.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 166.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -66.23 -14.2 61.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.2 20.99 13.59 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -174.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.89 172.78 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 111.183 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.5 p -100.12 160.48 14.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 -174.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -53.45 -43.23 67.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.42 -47.61 83.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.28 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -61.03 -40.21 92.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.03 -43.23 92.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.194 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.41 -47.42 79.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -64.19 -52.97 56.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.98 -47.21 52.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.221 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ARG . 78.6 t80 -64.78 -59.34 4.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 -177.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' TYR . 15.0 ttm180 -26.47 -62.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.212 166.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -56.39 -42.88 78.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -75.75 -43.85 44.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 -174.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.25 -34.66 76.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.195 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.9 mt -64.57 -38.93 92.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 169.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -61.35 -40.48 94.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -105.28 8.66 33.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.223 -176.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -51.18 139.84 23.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 169.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -52.13 -36.86 67.94 Favored 'Trans proline' 0 N--CA 1.458 -0.618 0 C-N-CA 121.73 1.62 . . . . 0.0 111.231 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -87.44 7.62 28.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -176.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -124.32 -33.83 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -175.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -146.84 126.23 13.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.22 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -129.05 85.11 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -139.24 140.62 26.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -72.69 127.15 12.07 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.716 1.611 . . . . 0.0 111.205 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.42 -39.93 2.7 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.29 87.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.254 167.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -54.52 -36.82 64.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 169.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -77.28 -37.54 52.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.232 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -56.64 -39.75 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.203 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.28 -37.99 89.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.6 mttt -65.21 -40.24 93.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 173.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -60.86 -31.63 71.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 173.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.5 mt -77.3 -38.98 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 173.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.493 ' HB1' ' HD2' ' A' ' 98' ' ' PRO . . . -50.06 -41.42 47.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.222 168.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -70.27 -40.34 74.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.185 172.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.87 -32.49 67.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.552 ' O ' ' N ' ' A' ' 56' ' ' SER . 44.5 t80 -97.1 -45.63 6.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.216 -175.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -35.18 -44.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 163.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.476 HG13 ' HA ' ' A' ' 61' ' ' ARG . 41.3 t -65.1 -63.21 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 170.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.531 HD13 ' HA ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -72.36 -7.33 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.244 -167.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.552 ' N ' ' O ' ' A' ' 52' ' ' TYR . 96.5 p -100.24 -16.12 17.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.218 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -134.15 116.24 13.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -171.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -59.64 -14.92 28.53 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.742 1.628 . . . . 0.0 111.121 -173.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -76.41 -29.01 56.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.258 -170.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -112.16 -6.43 14.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.21 172.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.476 ' HA ' HG13 ' A' ' 54' ' ' VAL . 42.0 ttm180 -59.94 -55.99 27.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.218 173.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -54.35 -41.64 69.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.18 -72.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.221 -170.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 5' ' ' TYR . 19.5 t80 -41.95 -53.62 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.216 176.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.67 -50.86 39.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -170.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -85.78 -32.99 21.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 -169.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -119.53 5.22 11.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 -168.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.47 170.32 46.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.412 ' OE1' ' N ' ' A' ' 69' ' ' GLU . 25.9 pm0 -83.41 -20.97 33.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 111.175 178.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.12 -28.49 69.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.85 -9.28 85.64 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.5 tp -97.36 -30.6 12.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 111.206 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -86.99 -35.14 18.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.406 ' HA3' ' HA2' ' A' ' 82' ' ' GLY . . . 88.97 39.42 6.5 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -169.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.479 ' HA ' ' HA2' ' A' ' 79' ' ' GLY . 82.4 p -116.97 13.15 14.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.737 0.303 . . . . 0.0 111.139 -175.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -98.46 -117.47 3.79 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -171.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -54.17 -41.4 76.15 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.725 1.617 . . . . 0.0 111.209 -174.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.6 p -110.89 40.85 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 177.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' ' 75' ' ' SER . . . -37.22 117.91 0.5 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 178.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.25 -29.57 5.47 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.478 ' O ' ' C ' ' A' ' 82' ' ' GLY . 86.4 p -67.33 -27.74 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 111.196 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 81' ' ' SER . . . 32.54 68.5 0.16 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 177.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.0 -106.1 1.47 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.05 8.99 42.7 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 86' ' ' ASN . . . -64.88 -32.27 73.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.763 0.316 . . . . 0.0 111.143 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 95.6 m-20 68.62 -85.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.233 174.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -123.78 10.6 8.44 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.8 p -107.38 173.82 6.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.329 . . . . 0.0 111.178 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.6 t -74.81 148.26 40.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.246 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -161.42 125.01 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -176.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.2 p -111.67 177.17 4.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.238 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -55.31 153.99 6.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 170.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 93' ' ' THR . 63.5 m -75.34 67.16 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -178.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -70.25 -21.4 62.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -57.83 -55.57 33.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 173.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.79 88.65 0.01 OUTLIER Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 167.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.41 ' C ' ' H ' ' A' ' 99' ' ' HIS . 63.2 t0 -119.88 111.24 35.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.171 -172.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 49' ' ' ALA . 86.7 Cg_endo -75.66 49.1 2.34 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.698 1.598 . . . . 0.0 111.235 177.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.41 ' H ' ' C ' ' A' ' 97' ' ' ASP . 80.4 t60 -90.57 -17.53 26.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.207 164.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.18 -40.36 24.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.263 169.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 88.0 mtp -59.63 -45.01 93.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 167.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -57.85 -50.47 73.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 174.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.96 -34.49 63.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -74.35 -43.81 55.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -70.66 -57.42 4.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 -174.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -118.52 -29.17 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -168.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 74.17 28.19 64.7 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.67 35.28 80.21 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -137.79 158.28 44.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 0.0 111.183 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.25 -176.755 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.8 mmm . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 63.6 -127.15 36.42 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -131.1 67.41 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.308 . . . . 0.0 111.183 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 p30 -73.16 -159.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.27 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.442 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 5.9 m-30 -66.62 -25.42 66.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.185 -168.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -77.5 -35.18 53.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.216 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -85.97 -17.88 34.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 174.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.9 m -79.51 -34.82 40.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 171.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.3 tp -77.6 -44.93 26.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 176.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.97 41.79 1.38 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.0 mt -136.67 177.84 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.339 . . . . 0.0 111.225 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.8 154.66 27.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 166.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.3 ptt-85 -63.95 -13.32 45.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.267 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.5 19.79 21.46 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.05 171.47 4.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.221 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.2 p -99.39 160.95 13.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.209 -174.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -55.03 -41.74 71.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.78 -48.25 79.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -60.61 -38.53 85.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.62 -42.2 95.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.225 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.68 -45.27 87.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -63.12 -51.54 66.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.07 -42.87 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.172 174.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -61.01 -43.51 98.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.238 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -54.74 -47.93 73.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 174.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -55.42 -45.67 76.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -76.6 -40.53 49.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 -171.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 175.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.28 -36.22 79.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.181 169.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -60.03 -41.76 92.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -106.27 5.68 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.256 -175.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 -49.68 138.35 17.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 174.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -52.1 -36.96 67.91 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.679 1.586 . . . . 0.0 111.158 -176.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -89.86 10.61 23.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.221 -176.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -124.44 -38.57 2.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -147.79 116.37 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -174.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -121.45 90.76 3.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.24 177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -146.15 125.07 6.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -55.52 128.73 31.63 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.736 1.624 . . . . 0.0 111.205 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.15 -44.68 1.58 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -177.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.35 80.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.186 167.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -54.91 -37.01 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.242 168.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -76.49 -37.04 57.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.268 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -56.24 -39.46 72.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 170.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -61.53 -38.63 88.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 173.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.489 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.2 mttt -65.57 -37.58 87.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.272 173.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.34 -38.79 84.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.261 171.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.3 mm -61.31 -42.66 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 174.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -49.06 -65.76 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 171.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -38.94 -48.6 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 170.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.431 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -62.59 -31.45 72.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.202 -174.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.616 ' O ' ' N ' ' A' ' 56' ' ' SER . 15.7 t80 -96.87 -43.55 7.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ALA . 95.0 m-20 -33.22 -50.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 164.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.464 HG13 ' HA ' ' A' ' 61' ' ' ARG . 43.1 t -61.98 -49.24 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 173.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.0 mt -94.45 2.59 55.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 -166.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.616 ' N ' ' O ' ' A' ' 52' ' ' TYR . 95.9 p -112.28 -18.67 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 172.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -133.38 118.95 15.09 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 -172.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -58.24 -17.37 32.31 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.779 1.653 . . . . 0.0 111.244 -174.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -69.4 -33.74 73.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.246 -171.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.689 ' NZ ' ' OG1' ' A' ' 93' ' ' THR . 99.5 mttt -106.03 -11.76 16.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 174.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.464 ' HA ' HG13 ' A' ' 54' ' ' VAL . 16.7 tpt180 -57.16 -60.43 3.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.217 175.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -51.66 -41.44 61.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.83 -66.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.176 -171.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -42.54 -54.08 4.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.45 -37.8 82.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.253 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -66.5 -53.92 29.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.244 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -115.69 -46.3 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.23 -176.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.65 -155.1 21.77 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.2 pm0 -84.52 -18.19 36.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 0.0 111.186 -173.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.2 -27.86 67.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.18 -5.49 87.3 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.3 mt -109.47 -27.38 9.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 111.176 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.411 ' HG3' ' HA ' ' A' ' 91' ' ' SER . 87.9 tttt -81.5 -46.09 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.206 175.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.63 28.16 5.49 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -174.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.8 t -87.37 -53.16 4.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 111.214 -174.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.411 ' HA3' ' HD3' ' A' ' 77' ' ' PRO . . . -116.18 -103.15 2.35 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.411 ' HD3' ' HA3' ' A' ' 76' ' ' GLY . 52.2 Cg_exo -55.61 169.35 1.23 Allowed 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.715 1.61 . . . . 0.0 111.173 171.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.0 t -149.96 120.25 7.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.257 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.27 -169.51 23.0 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.87 -123.04 25.75 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 177.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.5 p -119.36 -56.48 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 0.0 111.195 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.57 -119.21 15.75 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.26 -144.87 33.85 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.44 -17.56 64.41 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.77 -24.15 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.788 0.328 . . . . 0.0 111.256 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -72.81 -7.76 52.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.218 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.82 -0.11 87.71 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 174.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.4 p -114.65 -43.73 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 111.21 175.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.8 t -99.64 133.79 43.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -125.63 4.14 7.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.225 -172.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.411 ' HA ' ' HG3' ' A' ' 73' ' ' LYS . 21.8 t -136.89 -150.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -176.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -81.53 147.78 29.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.254 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.689 ' OG1' ' NZ ' ' A' ' 60' ' ' LYS . 67.8 p -68.07 73.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -79.75 65.89 5.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 96' ' ' GLY . 99.7 m-70 -131.48 -51.84 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 175.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 95' ' ' HIS . . . -23.11 105.22 0.01 OUTLIER Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 161.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -81.2 113.03 38.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 111.168 -171.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -74.16 -18.3 21.12 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.68 1.587 . . . . 0.0 111.233 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -77.17 -50.8 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -173.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.43 -56.51 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.265 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 78.3 mtm -55.87 -55.72 29.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.474 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 41.4 t80 -63.82 -52.31 60.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.187 -174.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.98 -31.53 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -74.51 -44.29 51.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.243 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -72.21 -56.97 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -175.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -115.77 -30.21 6.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 -169.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.78 28.82 58.41 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 173.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.474 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . 69.85 36.9 74.8 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -135.74 154.36 51.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.77 0.319 . . . . 0.0 111.198 174.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 . . . . . 0 C--O 1.201 -1.498 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 -177.481 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.808 0.337 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.47 -147.62 31.49 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -132.39 62.99 1.63 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.805 0.336 . . . . 0.0 111.238 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 4' ' ' ASP . 27.9 p30 -78.65 -161.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.233 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.503 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 3.3 m-30 -61.09 -33.69 73.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 -165.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -67.64 -30.58 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.216 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -86.5 -8.76 57.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.7 p -92.39 -26.29 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.6 mt -85.25 -27.16 26.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 170.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.48 31.5 16.03 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.5 mt -116.97 162.62 17.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.766 0.317 . . . . 0.0 111.233 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.81 151.56 28.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.225 166.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -49.42 -28.99 5.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.216 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.05 23.36 30.95 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -169.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.38 170.11 9.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.727 0.299 . . . . 0.0 111.208 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.9 p -94.82 157.4 15.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.5 -35.09 75.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.81 -46.54 84.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -68.77 -33.3 73.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.43 HG21 ' HB3' ' A' ' 55' ' ' LEU . 72.3 mt -60.78 -39.49 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 172.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.81 -37.15 85.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 175.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.06 -50.7 63.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.5 75.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -63.3 -45.46 91.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -51.88 -58.87 5.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 172.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -58.41 -41.49 85.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -173.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -75.16 -37.27 61.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.194 -173.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.36 70.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.208 172.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.18 -32.87 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.197 169.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -64.5 -35.42 80.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -111.68 10.05 21.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -177.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -49.85 139.67 16.48 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.265 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -52.1 -36.66 66.86 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.704 1.603 . . . . 0.0 111.224 -175.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -88.07 11.48 15.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -126.21 -38.45 2.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -175.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -147.68 115.71 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 -175.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.65 32.74 5.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.235 175.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -81.11 131.79 58.39 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.22 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -53.43 120.12 7.28 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.617 1.545 . . . . 0.0 111.248 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.77 -31.72 8.41 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.443 ' HA ' ' HB2' ' A' ' 44' ' ' LYS . . . -64.06 -31.47 72.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 111.248 173.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.81 -41.01 81.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 170.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -71.75 -34.69 69.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 174.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.443 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 98.7 mttt -67.41 -26.3 66.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 173.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -71.16 -38.86 72.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 171.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.1 mttt -61.49 -38.79 88.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.239 171.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -57.98 -42.96 86.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 173.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.8 -42.73 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 172.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -48.07 -53.18 17.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 174.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.417 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 34.8 tt0 -69.08 -30.94 69.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.67 -25.53 68.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.593 ' O ' ' N ' ' A' ' 56' ' ' SER . 32.3 t80 -104.32 -24.97 13.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.198 176.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.417 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 36.5 t0 -51.4 -51.52 54.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 165.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.421 ' HA ' ' HB2' ' A' ' 60' ' ' LYS . 45.0 t -52.12 -46.41 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 168.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.43 ' HB3' HG21 ' A' ' 20' ' ' ILE . 70.9 mt -101.09 0.33 37.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 -162.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 52' ' ' TYR . 88.4 p -105.93 -33.51 7.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 168.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -104.22 114.33 64.42 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 173.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -54.71 -37.13 91.67 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.723 1.615 . . . . 0.0 111.233 -167.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -82.0 8.94 9.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 -161.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' HB2' ' HA ' ' A' ' 54' ' ' VAL . 63.4 mttp -115.22 -5.57 12.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.242 172.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.419 ' HA ' HG13 ' A' ' 54' ' ' VAL . 78.8 ttt180 -89.66 -35.45 15.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 173.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.93 -12.06 22.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.175 168.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.4 mt -100.82 -57.38 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.17 170.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CD2' HG11 ' A' ' 54' ' ' VAL . 37.6 t80 -47.77 -59.47 3.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.177 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.09 -39.87 95.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -61.04 -55.68 29.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -112.7 -47.56 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 135.97 -154.04 21.71 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.8 pm0 -85.33 -16.78 38.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 111.207 -175.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -61.87 -26.56 68.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.59 -3.61 88.98 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.0 mt -112.13 -21.55 11.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.844 0.355 . . . . 0.0 111.259 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -85.06 -37.65 20.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 170.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.54 31.07 5.35 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -174.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.5 p -122.05 14.01 10.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 111.15 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.36 -156.69 7.19 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -68.13 85.03 0.43 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.648 1.565 . . . . 0.0 111.249 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.5 t -135.71 106.54 6.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 177.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -95.5 -165.15 34.71 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 174.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.88 -150.25 19.52 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 98.4 p -102.46 -34.05 9.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 111.209 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 41.72 -115.98 0.92 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.4 -111.18 3.95 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 176.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.11 -28.42 70.59 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.99 -52.97 23.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.219 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -67.92 -21.56 65.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.215 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.71 -19.45 71.25 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 82.5 p -101.34 -37.47 8.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.78 0.324 . . . . 0.0 111.169 -178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.6 t -72.1 148.6 45.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.19 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -154.17 21.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.208 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.9 t -162.4 -159.75 0.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -66.79 142.18 57.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.233 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 97.9 m -62.41 80.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.25 177.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -90.35 55.24 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.25 167.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -71.68 -50.28 31.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -166.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.78 167.34 29.53 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -166.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -86.27 114.57 58.12 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.835 0.35 . . . . 0.0 111.13 173.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.39 -16.8 21.69 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.74 1.626 . . . . 0.0 111.193 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -77.89 -38.64 45.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 -171.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.83 -54.55 45.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 78.8 mtm -54.82 -53.49 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.228 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.455 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 35.6 t80 -61.6 -52.39 64.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 -177.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.42 -37.55 70.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -68.89 -46.05 69.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -71.14 -58.92 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.237 -175.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -117.29 -23.09 7.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -165.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.16 38.19 87.73 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 169.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.455 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . 64.98 30.47 78.09 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -139.99 161.64 37.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.324 . . . . 0.0 111.245 175.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 -176.88 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.9 mmm . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.793 0.33 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.06 126.85 26.76 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -118.27 -52.26 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 0.0 111.227 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -59.19 116.86 4.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.195 -168.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.434 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 9.4 m-30 -56.42 -38.34 71.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -177.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -74.65 -35.01 62.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.221 -173.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -73.42 -16.36 61.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.199 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.5 p -96.34 -28.02 14.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 176.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.2 tp -78.47 -49.62 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.08 29.79 1.73 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.8 mt -128.91 170.48 13.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.156 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.24 158.72 26.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 166.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.1 ptt-85 -66.27 -13.43 60.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.201 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.51 21.23 24.14 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 171.37 5.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 111.21 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.9 p -102.71 160.96 14.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.183 -175.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -56.5 -40.45 74.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.42 -46.34 86.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -68.06 -34.49 76.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.235 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.478 HG21 ' HB3' ' A' ' 55' ' ' LEU . 78.5 mt -62.15 -39.58 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.234 175.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.19 -44.61 75.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -64.49 -56.07 16.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.225 177.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.69 -43.59 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.273 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -62.62 -42.36 99.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.24 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -56.22 -47.02 79.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.223 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -55.66 -46.29 77.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -75.74 -37.85 58.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.58 88.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 174.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.1 mt -66.72 -35.63 80.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.227 170.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -61.05 -40.63 94.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.239 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.467 ' HB3' ' HB2' ' A' ' 45' ' ' PHE . 72.2 m-85 -106.59 4.41 28.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 -175.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -47.87 139.1 9.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.178 174.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -51.85 -36.71 64.24 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.727 1.618 . . . . 0.0 111.205 -176.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -85.2 8.78 17.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.235 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -126.59 -36.24 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.218 -176.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.413 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 43.7 t-20 -149.24 113.42 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.205 -175.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -119.01 97.3 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.237 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -156.54 133.69 6.58 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.03 129.94 17.03 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.736 1.624 . . . . 0.0 111.2 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.59 -5.9 82.3 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -171.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.18 -34.58 6.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.783 0.325 . . . . 0.0 111.164 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -60.68 -26.33 67.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 160.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -73.56 -38.34 65.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 172.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.66 -40.03 82.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 168.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.467 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 1.7 t80 -59.55 -40.88 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.237 172.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.05 -38.66 92.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.19 176.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.5 -39.27 87.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 173.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.6 mm -67.45 -45.09 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.212 173.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.475 ' HB1' ' HD2' ' A' ' 98' ' ' PRO . . . -49.76 -50.82 43.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.186 171.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 53' ' ' ASP . 44.6 tp10 -61.1 -46.61 89.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.163 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.434 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -44.93 -62.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.224 170.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.518 ' O ' ' N ' ' A' ' 56' ' ' SER . 18.8 t80 -64.82 -39.9 94.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.223 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.424 ' HB3' ' O ' ' A' ' 50' ' ' GLU . 32.6 t70 -39.31 -52.17 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.204 171.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.449 HG13 ' HA ' ' A' ' 61' ' ' ARG . 45.2 t -62.01 -45.07 99.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.207 172.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.478 ' HB3' HG21 ' A' ' 20' ' ' ILE . 68.1 mt -89.09 5.39 44.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -167.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 52' ' ' TYR . 88.4 p -124.5 -33.01 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 172.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -106.53 114.78 61.66 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -174.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -59.28 -20.97 58.1 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.662 1.575 . . . . 0.0 111.253 -174.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -73.33 -25.52 60.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.239 -171.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -107.11 -10.93 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.449 ' HA ' HG13 ' A' ' 54' ' ' VAL . 79.9 ttt180 -61.15 -58.76 7.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.227 173.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.15 -38.92 63.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.13 -66.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 -175.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -42.07 -57.15 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 172.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -54.84 -44.29 73.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 -177.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -81.38 -25.97 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -171.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -127.22 -56.31 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 -173.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.2 -147.1 17.21 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.6 mp0 -79.13 -46.23 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.149 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -71.1 -23.97 62.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.34 0.27 88.55 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 tp -111.59 -21.19 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.767 0.318 . . . . 0.0 111.176 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -89.45 -31.31 17.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 171.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.4 31.79 6.32 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -177.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.2 p -119.96 11.57 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 111.168 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -113.3 -102.88 2.57 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -52.7 -56.19 3.06 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.655 1.57 . . . . 0.0 111.208 -175.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.9 p -103.51 43.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.234 173.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -39.96 116.75 0.75 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.23 -31.02 4.82 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.0 p -75.82 -20.1 58.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 0.0 111.178 -177.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 54.98 53.43 40.13 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 -176.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 62.78 -112.31 4.83 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -166.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -101.91 10.6 57.23 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.34 -22.02 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.763 0.316 . . . . 0.0 111.164 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 65.97 -88.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.211 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.89 10.25 8.95 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -177.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.3 p -106.21 174.09 6.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 111.204 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.6 p -74.06 159.48 32.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.248 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -170.11 108.04 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.6 p -94.33 176.55 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.257 171.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -52.71 149.67 5.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.257 170.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 93' ' ' THR . 86.5 m -71.8 69.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.25 -177.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -78.03 -21.95 49.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -57.93 -59.94 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 174.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.15 88.65 0.01 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 165.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 99' ' ' HIS . 58.5 t0 -118.76 112.21 37.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 111.174 -172.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.475 ' HD2' ' HB1' ' A' ' 49' ' ' ALA . 86.9 Cg_endo -75.62 48.15 2.08 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.632 1.554 . . . . 0.0 111.206 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.415 ' H ' ' C ' ' A' ' 97' ' ' ASP . 85.5 t60 -92.3 -23.74 19.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 167.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.71 -49.5 58.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 170.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 74.3 mtm -61.54 -35.3 77.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 174.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.94 -48.89 79.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 172.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.12 -32.5 62.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.16 -42.87 45.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 176.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -70.42 -56.92 5.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.275 -175.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -117.33 -29.56 5.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.265 -170.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.37 27.29 61.86 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 67.8 35.41 85.11 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -137.25 157.72 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.367 . . . . 0.0 111.173 174.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 . . . . . 0 C--O 1.2 -1.521 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.232 -176.464 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.802 0.334 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -110.22 142.77 16.67 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 177.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -92.45 65.31 4.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.798 0.333 . . . . 0.0 111.217 -174.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -76.62 99.22 4.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.213 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.51 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 8.5 m-30 -53.09 -40.93 64.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 -174.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -71.53 -27.95 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.239 -176.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -69.86 -26.54 64.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.218 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.8 p -89.59 -25.84 21.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.254 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.445 ' HA ' ' HG3' ' A' ' 27' ' ' GLN . 80.4 mt -78.4 -35.06 47.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.227 170.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.47 47.11 3.85 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -148.81 175.84 10.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 111.183 175.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.72 143.32 42.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.15 -24.69 42.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.255 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.96 22.66 31.13 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -175.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.09 174.45 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 111.15 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.1 p -98.57 163.89 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -52.69 -43.32 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -62.86 -47.67 82.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -62.94 -35.51 80.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.0 mt -62.35 -43.4 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 174.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.49 -42.95 98.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.18 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -64.96 -52.57 55.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.22 177.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.52 -43.29 71.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.252 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.529 ' OH ' ' O ' ' A' ' 98' ' ' PRO . 51.1 t80 -64.39 -46.14 84.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.205 -179.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -53.98 -48.89 69.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 177.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -51.65 -44.44 63.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.166 176.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.445 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 54.3 mm-40 -71.07 -46.55 61.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 -174.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.0 74.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.54 -37.0 84.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 170.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.79 -41.09 96.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.25 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.408 ' HA ' ' HB3' ' A' ' 36' ' ' ASN . 93.6 m-85 -104.37 9.08 35.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.256 -174.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -50.65 139.75 20.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 166.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.41 -36.44 69.4 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.603 1.535 . . . . 0.0 111.244 -175.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -88.65 9.09 25.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -126.09 -30.8 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.215 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.408 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 23.1 t-20 -148.18 125.39 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 176.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -126.77 85.36 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -138.94 140.73 27.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -177.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.15 130.44 16.48 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.648 1.565 . . . . 0.0 111.197 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.8 -41.59 2.62 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -176.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.9 -37.74 77.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.707 0.289 . . . . 0.0 111.178 171.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -53.99 -35.17 61.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.229 170.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -82.14 -33.93 29.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.5 -35.0 77.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.184 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.74 -43.01 90.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.2 173.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -58.1 -38.44 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.215 173.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -64.98 -45.24 86.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 174.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.452 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 83.1 mt -64.47 -23.36 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 174.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.495 ' HB1' ' HD2' ' A' ' 98' ' ' PRO . . . -75.73 -31.39 59.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.204 174.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -66.88 -36.24 81.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.184 171.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.51 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -49.53 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.224 170.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.558 ' O ' ' N ' ' A' ' 56' ' ' SER . 11.9 t80 -62.1 -39.26 91.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.251 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -41.48 -53.23 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 170.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.486 HG13 ' HA ' ' A' ' 61' ' ' ARG . 50.3 t -59.33 -45.04 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 173.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 51' ' ' ALA . 77.2 mt -90.92 -8.07 50.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -164.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 52' ' ' TYR . 98.0 p -109.29 -31.69 7.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 174.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -110.57 116.51 52.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.19 -173.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -59.24 -18.77 46.62 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.665 1.577 . . . . 0.0 111.216 -174.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -76.82 -26.09 54.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -171.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -107.96 -11.06 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.246 171.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.486 ' HA ' HG13 ' A' ' 54' ' ' VAL . 39.9 ttm180 -60.78 -55.97 26.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.198 172.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -52.72 -43.58 65.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.88 -69.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -172.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -41.7 -57.84 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 173.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -55.21 -43.51 74.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -68.63 -55.86 10.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.202 -173.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -111.43 -45.54 3.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.268 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.24 -152.2 19.67 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -77.85 -35.91 50.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 -173.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.61 -29.94 70.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.258 -175.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.53 -7.93 87.61 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.4 tp -104.37 -30.14 10.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -85.12 -35.0 22.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 174.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.88 37.04 5.07 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -176.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.9 p -125.34 20.91 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.763 0.316 . . . . 0.0 111.154 -173.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.56 -150.6 3.48 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -54.95 -34.42 86.36 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.654 1.57 . . . . 0.0 111.216 -176.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 85.7 p -105.01 43.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.203 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.34 124.14 13.52 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.91 -36.34 3.88 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.507 ' O ' ' C ' ' A' ' 82' ' ' GLY . 90.7 p -65.9 -29.64 70.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.794 0.331 . . . . 0.0 111.199 176.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.507 ' C ' ' O ' ' A' ' 81' ' ' SER . . . 28.96 70.82 0.06 OUTLIER Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.65 -85.07 0.11 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -130.06 18.87 5.26 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.46 -28.45 65.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 0.0 111.185 177.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 68.74 -84.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 172.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.86 11.27 8.83 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.0 m -96.83 134.56 39.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 111.224 -175.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.1 p -73.94 154.88 39.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -168.11 119.76 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 -172.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.3 p -87.05 175.6 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.243 171.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -47.32 144.01 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.186 172.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.716 ' O ' HG23 ' A' ' 93' ' ' THR . 12.7 t -74.47 69.23 1.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.197 -177.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -68.87 -12.53 61.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.201 -173.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -54.3 -54.78 35.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 166.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.86 87.51 0.01 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 165.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 99' ' ' HIS . 64.0 t0 -129.17 102.06 19.04 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.709 0.29 . . . . 0.0 111.214 -177.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.529 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 83.4 Cg_endo -76.34 48.65 2.39 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.714 1.609 . . . . 0.0 111.159 178.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.409 ' H ' ' C ' ' A' ' 97' ' ' ASP . 85.4 t60 -90.88 -17.63 26.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 164.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.67 -39.81 26.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 169.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 89.9 mtp -59.62 -45.91 90.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.199 167.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -56.67 -49.94 73.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.252 174.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.22 -34.46 60.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -75.45 -41.7 55.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -73.19 -57.85 3.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.241 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -114.43 -29.31 6.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.205 -170.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 72.64 30.74 63.65 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 66.78 37.32 92.25 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -137.61 175.08 9.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 111.179 173.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 176.907 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.2 mtp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.834 0.35 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.84 154.98 16.59 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -91.3 68.89 5.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -85.93 101.75 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.213 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.462 ' CG ' ' HA ' ' A' ' 51' ' ' ALA . 6.9 m-30 -53.84 -39.47 65.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.227 -172.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -76.11 -30.49 58.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -174.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -72.76 -29.59 63.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 170.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.7 m -75.28 -37.24 61.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.1 mt -78.26 -30.78 48.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.223 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.15 50.33 2.45 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.428 ' N ' HD23 ' A' ' 11' ' ' LEU . 2.2 pt? -157.06 179.47 9.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 175.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.96 148.9 36.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -176.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.93 -18.85 65.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.8 20.78 31.08 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -176.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.13 -176.11 2.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.77 0.319 . . . . 0.0 111.173 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.1 p -104.93 165.58 10.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -61.68 -32.43 72.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.92 -46.79 76.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 176.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -68.03 -31.77 71.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.453 HG21 ' HG ' ' A' ' 55' ' ' LEU . 79.3 mt -65.02 -40.44 89.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 173.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.75 -45.48 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -63.1 -49.14 75.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.208 174.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.13 -44.26 15.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 176.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -74.66 -49.51 21.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -36.14 -53.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 170.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -59.88 -57.1 14.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.181 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -66.51 -38.04 86.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.184 -168.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.22 91.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.267 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.6 -37.85 88.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 172.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -62.75 -42.26 99.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.401 ' HA ' ' HB3' ' A' ' 36' ' ' ASN . 71.7 m-85 -106.15 7.17 31.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.287 -175.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -48.8 139.34 11.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 169.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -52.47 -36.62 70.75 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.677 1.585 . . . . 0.0 111.223 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -87.25 9.21 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.45 -29.59 2.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.215 -176.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.401 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 30.0 t-20 -148.04 122.29 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.0 88.13 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -150.61 132.5 7.88 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -69.54 134.06 27.52 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.713 1.608 . . . . 0.0 111.171 177.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.07 -44.93 1.84 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -174.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.36 -35.79 80.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 111.179 162.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -51.68 -36.66 47.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.267 166.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -82.2 -30.9 30.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -66.35 -30.73 71.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 172.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -73.87 -35.38 64.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.216 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 97.7 mttt -62.08 -36.74 82.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.209 168.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.45 -43.33 99.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.198 173.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.52 -46.97 95.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 173.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -41.06 -76.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.229 172.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -45.48 -34.88 3.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.462 ' HA ' ' CG ' ' A' ' 5' ' ' TYR . . . -68.01 -27.98 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.247 -175.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.532 ' O ' ' C ' ' A' ' 53' ' ' ASP . 61.1 t80 -105.0 -46.34 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.204 174.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.532 ' C ' ' O ' ' A' ' 52' ' ' TYR . 37.5 t70 -23.68 -55.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 175.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.466 HG23 HD22 ' A' ' 55' ' ' LEU . 8.7 m -78.1 -25.92 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.226 -171.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.8 mm? -73.94 -31.95 63.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 171.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.415 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 81.3 p -83.96 -15.65 47.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 174.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -121.87 101.76 41.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -65.03 -8.59 18.72 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.72 1.614 . . . . 0.0 111.154 -169.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -76.34 -40.96 49.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.211 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 63' ' ' ILE . 96.1 mttt -85.74 -39.57 17.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.22 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -26.57 -47.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.212 159.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 66' ' ' ARG . 71.6 mm-40 -68.05 -27.15 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.268 -175.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 60' ' ' LYS . 96.8 mt -82.18 -67.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 168.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -49.44 -70.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.249 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.21 -42.73 99.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.225 -168.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 60.7 ttm-85 -64.14 -55.98 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -106.44 -57.2 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -170.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 147.84 -169.07 28.68 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -79.68 -32.39 41.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 111.201 -172.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.39 -26.72 68.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.47 -7.5 87.46 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.0 tp -102.6 -27.54 12.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 111.192 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -89.01 -34.83 16.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.211 172.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.58 39.78 6.58 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -171.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.437 ' HA ' ' HA2' ' A' ' 79' ' ' GLY . 82.8 p -118.2 12.3 13.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 111.204 -176.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -94.01 -125.91 4.33 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -172.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -54.46 -38.95 89.75 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.727 1.618 . . . . 0.0 111.234 -174.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.5 p -108.74 39.05 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.259 174.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.437 ' HA2' ' HA ' ' A' ' 75' ' ' SER . . . -50.98 133.48 32.37 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -177.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.57 -27.22 8.52 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.2 p -74.86 -27.68 60.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.74 0.305 . . . . 0.0 111.22 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 54.18 57.23 17.62 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 173.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.48 -107.26 1.64 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -168.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.21 10.43 39.77 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 86' ' ' ASN . . . -66.03 -28.89 69.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 111.267 -178.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 96.1 m-20 67.96 -85.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.185 175.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -121.51 12.5 9.53 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.7 m -99.63 143.31 30.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 111.16 -173.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.4 t -59.14 141.39 54.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 173.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -158.79 122.36 3.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -163.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.6 p -108.15 168.36 9.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -47.55 140.72 5.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.178 169.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 93' ' ' THR . 53.1 m -62.42 77.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.246 172.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -75.13 -13.79 60.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.194 172.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -49.3 -51.85 31.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.227 173.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.05 87.5 0.01 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 161.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -109.9 111.25 58.73 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 111.2 -173.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -84.49 20.95 1.14 Allowed 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.692 1.595 . . . . 0.0 111.172 -177.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -88.63 -34.25 17.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 174.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.79 -50.94 72.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.254 166.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 76.7 mtm -60.82 -38.4 85.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.73 -47.79 84.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.52 -33.74 64.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -75.26 -42.61 54.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.18 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -69.8 -56.02 8.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 -177.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -118.39 -31.43 4.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.181 -169.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 79.81 29.24 48.23 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.59 27.19 71.57 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -124.07 162.69 22.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 111.187 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 . . . . . 0 C--O 1.201 -1.476 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 178.352 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.2 t0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.801 0.334 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -53.11 -40.76 64.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.424 ' CG ' ' HA ' ' A' ' 13' ' ' ARG . 95.1 m-85 -69.72 -32.61 71.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.149 -175.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -76.79 -23.51 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.7 p -85.09 -24.77 27.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 174.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.1 mt -75.98 -34.01 59.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 167.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.51 47.39 3.76 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.471 HD12 ' C ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -158.56 178.53 10.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 111.215 178.68 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.71 148.7 36.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -173.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.424 ' HA ' ' CG ' ' A' ' 6' ' ' TYR . 99.5 mtt180 -62.34 -16.13 52.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.221 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.04 20.96 32.49 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.22 174.7 6.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 111.2 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.7 p -99.17 162.66 12.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 -177.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -54.12 -41.31 68.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -63.16 -46.59 86.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -63.77 -36.24 83.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.182 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.91 -38.95 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.04 -46.42 71.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -65.51 -51.18 61.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.233 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.01 -42.25 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.222 174.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -64.17 -41.13 97.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.242 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -55.87 -49.97 71.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.253 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -52.43 -45.4 65.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -73.97 -42.67 60.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 -174.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.1 -35.0 79.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 176.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.87 -38.71 89.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 170.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -60.57 -39.72 89.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.266 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.418 ' HA ' ' HB3' ' A' ' 36' ' ' ASN . 97.7 m-85 -108.6 7.65 26.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.258 -175.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -48.98 139.25 12.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.187 169.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -52.49 -36.33 69.8 Favored 'Trans proline' 0 C--N 1.328 -0.533 0 C-N-CA 121.714 1.609 . . . . 0.0 111.131 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -87.88 8.47 25.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -124.82 -35.05 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.418 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 41.4 t-20 -147.37 120.13 8.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -123.82 88.38 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.274 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -148.67 131.68 8.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.167 -177.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.08 132.39 24.32 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.675 1.583 . . . . 0.0 111.204 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.15 -47.74 1.34 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -174.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.03 -38.26 88.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 0.0 111.22 167.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -54.6 -34.68 62.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 170.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -79.5 -36.96 37.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.35 -40.32 81.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 170.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.52 -40.92 96.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.237 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.81 -42.83 94.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 173.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.17 -37.33 87.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.231 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.5 mt -70.55 -45.42 74.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.35 -39.54 67.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 171.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -66.22 -46.49 77.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.223 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.24 -56.74 5.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 173.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.494 ' O ' ' C ' ' A' ' 53' ' ' ASP . 76.6 t80 -66.54 -46.76 75.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 52' ' ' TYR . 35.9 t70 -27.52 -56.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 176.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.435 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 1.5 m -74.18 -33.54 35.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -174.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.488 ' HA ' HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -66.06 -29.2 69.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.211 176.656 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 94.9 p -90.86 -23.08 20.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -117.53 109.06 42.33 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.241 -173.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -59.79 -18.04 46.59 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.707 1.604 . . . . 0.0 111.248 -172.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -74.02 -32.43 63.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 -171.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -104.15 -6.61 20.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 172.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 56.6 ttt180 -67.52 -51.88 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.168 178.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -52.08 -38.52 57.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.226 174.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.54 -62.39 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.189 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -42.58 -57.61 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 169.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -56.91 -42.88 80.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -66.76 -55.68 13.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.229 -173.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -111.76 -44.73 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.264 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.84 -150.81 19.14 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.6 mp0 -79.04 -36.32 41.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 111.238 -173.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.8 -29.46 69.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.175 -175.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.17 -3.62 88.47 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 tp -110.49 -27.92 8.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.754 0.312 . . . . 0.0 111.231 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -80.17 -37.85 32.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 178.724 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.763 0.316 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -46.37 142.46 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.256 170.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.699 ' O ' HG23 ' A' ' 93' ' ' THR . 10.3 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.228 -175.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 79.0 t60 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.813 0.34 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.86 -43.09 63.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.224 166.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 67.6 mtt -57.6 -50.24 73.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 169.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.439 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 51.1 t80 -58.78 -50.46 73.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.24 -35.85 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -74.84 -44.38 49.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.22 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.28 -55.63 8.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 -174.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -116.66 -30.05 5.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.188 -170.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.82 27.95 59.81 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.439 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.3 t0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.759 0.314 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.525 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 3.9 m-30 -54.71 -39.41 68.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -173.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -70.74 -32.45 69.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.193 -176.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -81.43 -16.05 53.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.7 p -89.39 -26.88 20.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.491 ' HA ' ' HG3' ' A' ' 27' ' ' GLN . 83.6 mt -82.3 -31.57 29.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.27 171.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.29 45.94 5.15 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 175.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.436 HD23 ' H ' ' A' ' 11' ' ' LEU . 1.9 pt? -146.45 174.11 11.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.791 0.329 . . . . 0.0 111.23 174.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.62 144.76 37.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.5 ptt-85 -63.49 -14.96 56.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.263 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.86 19.68 30.17 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.18 177.85 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 111.2 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.7 p -100.55 164.62 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -53.55 -40.67 65.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.185 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -66.88 -43.68 82.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.227 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -65.72 -36.27 83.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.448 HG21 ' HB3' ' A' ' 55' ' ' LEU . 81.1 mt -61.52 -41.75 91.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 174.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -67.88 -40.85 83.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -66.1 -48.01 72.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.0 -44.87 71.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.239 173.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -61.88 -45.66 92.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.25 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -54.18 -50.6 66.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.241 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -53.38 -45.17 69.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.491 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 5.8 mm100 -75.89 -41.43 52.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -172.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.01 -32.66 74.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.71 -37.85 85.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.232 168.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -61.99 -41.01 97.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -105.56 11.24 32.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 -175.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.4 t-80 -52.52 139.15 39.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.223 167.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -52.42 -36.02 67.8 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.66 1.573 . . . . 0.0 111.204 -175.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -90.18 9.26 29.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 -176.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -123.96 -36.12 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -149.9 110.21 4.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -123.08 36.84 4.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -85.47 150.98 55.36 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.194 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.53 124.09 15.43 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.721 1.614 . . . . 0.0 111.247 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.16 -23.63 35.58 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.47 77.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.841 0.353 . . . . 0.0 111.217 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.77 -42.98 68.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.264 172.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -74.39 -34.02 63.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.214 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.71 -32.42 73.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 174.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.15 -37.82 81.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.149 172.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.2 mttt -62.57 -38.22 89.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 172.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -57.87 -39.54 78.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.279 173.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.4 mm -65.98 -41.79 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 174.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -45.62 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 173.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.404 ' HA ' ' HB2' ' A' ' 53' ' ' ASP . 15.4 pt-20 -42.63 -34.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 177.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.525 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -68.84 -32.06 71.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -177.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 56' ' ' SER . 31.4 t80 -99.44 -40.4 7.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.172 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.404 ' HB2' ' HA ' ' A' ' 50' ' ' GLU . 92.1 m-20 -31.21 -54.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 164.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.515 HG13 ' HA ' ' A' ' 61' ' ' ARG . 43.9 t -60.09 -42.95 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.448 ' HB3' HG21 ' A' ' 20' ' ' ILE . 67.9 mt -94.73 -1.76 52.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.253 -167.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 52' ' ' TYR . 79.4 p -109.22 -28.52 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 173.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -123.67 117.36 27.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.217 -172.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -57.47 -18.82 33.43 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.62 1.547 . . . . 0.0 111.207 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -66.16 -36.4 83.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.19 -175.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -103.99 -9.24 19.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.515 ' HA ' HG13 ' A' ' 54' ' ' VAL . 80.3 ttt180 -57.51 -62.34 1.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.264 172.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -51.98 -38.26 56.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.251 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.4 -68.73 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.274 -174.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' GLY . 63.8 t80 -42.9 -58.21 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 170.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -50.56 -42.95 56.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -71.58 -56.37 6.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 -175.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -106.39 -44.24 4.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 -174.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . 117.51 -142.44 17.27 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -75.0 -45.45 41.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 111.235 -174.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.8 mp0 -60.17 -27.21 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.71 -4.68 88.79 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.5 tp -114.32 -23.34 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.176 176.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -71.5 -57.27 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 169.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.495 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -175.685 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 92' ' ' TYR . 38.8 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.802 0.334 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.461 ' N ' ' OG ' ' A' ' 91' ' ' SER . 67.3 m-85 -95.45 150.54 20.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.224 -173.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 99.1 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 173.072 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 71.4 t60 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.744 0.307 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.63 72.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 77.9 mtm -56.68 -46.9 80.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.464 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 30.9 t80 -64.29 -51.28 64.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.233 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.79 -34.42 67.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.223 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -72.3 -46.89 53.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.28 -53.32 17.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 -174.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -118.35 -32.04 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.214 -169.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 78.1 24.98 62.74 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.464 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . . . . . . 0 CA--C 1.523 0.549 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.5 t0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.822 0.344 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.437 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 8.8 m-30 -65.61 -25.48 67.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.216 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -79.33 -30.14 42.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -80.43 -15.04 57.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 170.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.7 m -79.07 -32.97 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 171.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 mp -97.06 -12.69 22.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.53 32.01 58.12 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.3 mt -112.3 166.26 11.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 111.258 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.87 154.35 28.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.22 164.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -50.43 -31.69 15.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.82 28.99 13.06 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 -169.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.89 113.29 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.753 0.311 . . . . 0.0 111.194 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.2 p -48.9 162.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -62.08 -26.63 68.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.219 -170.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -69.15 -43.04 75.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -70.23 -33.67 71.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.8 mt -61.29 -42.56 94.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.234 173.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.25 -39.99 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.293 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -65.09 -55.4 19.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.48 -43.45 55.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 173.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -61.47 -44.48 97.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.239 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.517 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 36.1 ttm180 -55.64 -48.07 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 176.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.83 -40.25 94.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -176.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.572 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 5.0 mm-40 -74.54 -39.89 62.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.237 -177.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.24 80.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.0 mt -73.65 -31.98 63.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 172.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -61.89 -37.41 84.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.189 175.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -106.14 13.28 29.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -53.14 136.02 49.24 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.208 168.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -52.51 -35.16 65.4 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.683 1.589 . . . . 0.0 111.172 -176.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -93.99 10.79 32.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -121.89 -39.8 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -146.31 120.41 9.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -131.21 83.95 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 169.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -123.95 152.98 67.4 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -173.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -56.04 117.7 4.38 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.705 1.603 . . . . 0.0 111.184 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.86 -21.59 45.19 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.84 -35.88 81.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 111.201 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.23 -44.77 68.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 171.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -74.31 -33.9 63.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.15 -28.56 68.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.207 175.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.91 -35.06 59.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.262 174.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 97.5 mttt -62.84 -39.45 94.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 170.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.72 -36.29 69.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.5 mm -71.21 -43.13 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.193 171.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -47.35 -57.95 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.264 175.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -70.34 -34.92 73.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -176.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -51.41 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.254 172.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.607 ' O ' ' N ' ' A' ' 56' ' ' SER . 21.6 t80 -63.17 -39.93 96.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -41.93 -51.27 4.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.527 HG13 ' HA ' ' A' ' 61' ' ' ARG . 43.3 t -61.6 -46.01 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.203 171.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 51' ' ' ALA . 66.6 mt -90.02 7.55 37.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 -168.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 52' ' ' TYR . 95.8 p -124.01 -34.92 2.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 171.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -107.74 115.91 58.27 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.184 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -60.88 -15.37 37.9 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.699 1.599 . . . . 0.0 111.206 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -77.52 -23.41 50.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -172.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -107.21 -10.91 15.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.234 171.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.527 ' HA ' HG13 ' A' ' 54' ' ' VAL . 42.7 ttp85 -58.36 -60.99 2.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 172.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -52.26 -40.61 61.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.227 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.49 -69.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 -173.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -42.51 -56.63 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 174.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -54.72 -44.2 73.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.182 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 -68.6 -53.45 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.211 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -120.34 -44.86 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.241 -177.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.69 -128.51 7.84 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -175.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -83.62 -7.94 59.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.313 . . . . 0.0 111.181 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.56 -31.17 72.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.177 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -114.34 -21.18 5.62 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.7 tp -79.86 -38.88 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 111.184 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -91.36 -33.35 15.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.24 166.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.566 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -171.125 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.6 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.744 0.306 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -97.59 160.03 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 93' ' ' THR . 92.8 m . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 173.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 21.6 m170 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.83 0.348 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.01 -48.32 53.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 -178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 77.6 mtm -54.12 -40.27 67.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.259 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.517 ' CE1' ' HA ' ' A' ' 25' ' ' ARG . 13.2 t80 -75.52 -43.73 47.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.181 -178.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.48 -34.04 60.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.197 175.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -74.87 -39.89 61.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 175.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -72.8 -59.35 2.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.401 ' HB3' ' CE1' ' A' ' 102' ' ' PHE . 82.1 t80 -115.56 -35.06 4.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 -170.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.97 36.91 9.65 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -174.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.436 ' HA3' ' CE2' ' A' ' 102' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 170.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.5 t0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.821 0.344 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.516 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 4.7 m-30 -59.11 -35.73 73.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.244 -177.504 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -76.39 -31.83 58.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.287 -173.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -80.77 -18.78 46.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 172.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.3 m -75.79 -39.55 56.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.252 171.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.44 ' HA ' ' HG3' ' A' ' 27' ' ' GLN . 76.9 mt -84.37 -27.3 27.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 -178.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.9 46.47 6.26 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.444 HD23 ' H ' ' A' ' 11' ' ' LEU . 1.3 pt? -144.77 172.67 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 111.213 173.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.21 148.64 37.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 ptt-85 -63.92 -18.02 63.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.19 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.74 22.44 33.84 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.17 115.61 13.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 111.14 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.0 p -48.81 163.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 171.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.431 ' HA ' HD12 ' A' ' 20' ' ' ILE . 99.9 m-20 -65.46 -26.2 67.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -167.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.88 -36.54 72.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 82.4 mm-40 -73.9 -28.22 61.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 173.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 17' ' ' ASP . 90.3 mt -68.63 -46.89 79.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 173.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -48.8 -50.94 31.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.178 171.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -62.68 -58.52 7.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.72 -46.54 29.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -65.82 -44.81 84.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -54.83 -49.78 70.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -52.43 -46.29 66.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.259 175.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.452 ' HB3' HD13 ' A' ' 48' ' ' ILE . 54.7 mm-40 -70.79 -45.5 64.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 -174.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.52 -34.31 77.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.63 -41.48 98.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 170.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -63.62 -41.51 98.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.222 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.455 ' HA ' ' HB3' ' A' ' 36' ' ' ASN . 67.4 m-85 -103.92 7.54 36.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -174.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -49.2 139.37 13.45 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 167.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -52.17 -36.47 66.83 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.745 1.63 . . . . 0.0 111.202 -175.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -87.91 8.81 24.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.242 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.11 -29.21 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.455 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 62.2 t-20 -154.08 109.68 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 177.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -120.12 89.98 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -149.09 130.19 7.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.198 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -54.97 129.28 34.44 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.651 1.567 . . . . 0.0 111.221 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.62 -47.4 1.32 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.24 84.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 111.177 166.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -54.83 -34.92 63.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 169.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -79.17 -35.87 41.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.226 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -58.99 -35.69 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 171.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.7 -38.14 83.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 175.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.72 -40.19 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 171.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.49 -37.37 85.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 174.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.452 HD13 ' HB3' ' A' ' 27' ' ' GLN . 80.4 mt -66.47 -46.09 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.208 172.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.21 -41.22 60.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.193 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -69.95 -41.23 74.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 174.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.516 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -56.33 -26.31 52.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 56' ' ' SER . 13.5 t80 -98.64 -40.74 8.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -30.99 -54.63 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 166.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' A' ' 61' ' ' ARG . 37.6 t -62.57 -44.62 99.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 177.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.431 ' HB3' HG21 ' A' ' 20' ' ' ILE . 74.9 mt -89.17 -2.92 58.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -168.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 52' ' ' TYR . 88.0 p -113.3 -21.99 10.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 175.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 54.1 t0 -120.47 115.19 32.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.236 -173.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HA ' ' HB3' ' A' ' 61' ' ' ARG . 86.3 Cg_exo -59.0 -18.74 44.63 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.66 1.573 . . . . 0.0 111.177 -174.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -77.17 -25.19 51.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 -172.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -108.9 -10.47 15.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.204 172.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.441 ' HA ' HG13 ' A' ' 54' ' ' VAL . 15.9 tpt180 -67.96 -50.09 57.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 174.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -55.93 -39.89 72.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.271 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.3 mt -71.41 -69.72 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -175.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -39.22 -55.88 1.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -59.7 -44.5 93.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.232 -173.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -83.09 -23.73 32.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.206 -173.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -125.5 -65.84 0.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.201 -175.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.12 -151.56 20.3 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -74.49 -42.73 58.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 111.21 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.79 -34.28 75.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.245 -173.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.1 -10.74 80.02 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.0 tp -98.53 -33.85 10.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 111.24 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -79.34 -39.39 32.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 174.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.636 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 -172.984 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.7 p . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.758 0.313 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -44.92 144.6 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 172.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.73 ' O ' HG23 ' A' ' 93' ' ' THR . 11.7 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 -170.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.4 t60 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.716 0.293 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.88 -41.85 25.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 169.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -59.39 -40.68 87.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 168.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -62.96 -47.21 84.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 175.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.53 -33.93 60.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -76.17 -42.88 45.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 176.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.99 -55.2 8.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.232 -174.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -118.49 -33.73 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.237 -172.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 74.22 19.88 79.74 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.535 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -172.346 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 53.1 t0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.435 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 5.6 m-30 -61.98 -27.69 69.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -172.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -75.62 -32.21 60.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -71.21 -24.2 62.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.5 p -94.27 -27.54 16.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -177.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.6 tp -82.58 -39.09 22.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.176 173.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.58 32.04 4.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 173.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.4 mt -130.57 174.15 10.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.27 160.53 21.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 166.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -66.23 -14.2 61.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.2 20.99 13.59 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -174.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.89 172.78 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 111.183 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.5 p -100.12 160.48 14.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 -174.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -53.45 -43.23 67.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.42 -47.61 83.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.28 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -61.03 -40.21 92.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.03 -43.23 92.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.194 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.41 -47.42 79.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -64.19 -52.97 56.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.98 -47.21 52.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.221 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ARG . 78.6 t80 -64.78 -59.34 4.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 -177.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' TYR . 15.0 ttm180 -26.47 -62.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.212 166.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -56.39 -42.88 78.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -75.75 -43.85 44.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 -174.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.25 -34.66 76.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.195 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.9 mt -64.57 -38.93 92.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 169.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -61.35 -40.48 94.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -105.28 8.66 33.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.223 -176.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -51.18 139.84 23.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 169.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -52.13 -36.86 67.94 Favored 'Trans proline' 0 N--CA 1.458 -0.618 0 C-N-CA 121.73 1.62 . . . . 0.0 111.231 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -87.44 7.62 28.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -176.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -124.32 -33.83 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -175.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -146.84 126.23 13.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.22 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -129.05 85.11 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -139.24 140.62 26.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -72.69 127.15 12.07 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.716 1.611 . . . . 0.0 111.205 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.42 -39.93 2.7 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.29 87.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.254 167.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -54.52 -36.82 64.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 169.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -77.28 -37.54 52.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.232 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -56.64 -39.75 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.203 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.28 -37.99 89.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.6 mttt -65.21 -40.24 93.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 173.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -60.86 -31.63 71.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 173.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.5 mt -77.3 -38.98 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 173.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -50.06 -41.42 47.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.222 168.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -70.27 -40.34 74.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.185 172.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.87 -32.49 67.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.556 ' O ' ' N ' ' A' ' 56' ' ' SER . 44.5 t80 -97.1 -45.63 6.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.216 -175.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -35.18 -44.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 163.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 61' ' ' ARG . 41.3 t -65.1 -63.21 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 170.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.525 ' HA ' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -72.36 -7.33 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.244 -167.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 52' ' ' TYR . 96.5 p -100.24 -16.12 17.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.218 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -134.15 116.24 13.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -171.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -59.64 -14.92 28.53 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.742 1.628 . . . . 0.0 111.121 -173.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -76.41 -29.01 56.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.258 -170.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -112.16 -6.43 14.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.21 172.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.491 ' HA ' HG13 ' A' ' 54' ' ' VAL . 42.0 ttm180 -59.94 -55.99 27.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.218 173.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -54.35 -41.64 69.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.18 -72.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.221 -170.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CE2' ' HB2' ' A' ' 5' ' ' TYR . 19.5 t80 -41.95 -53.62 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.216 176.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.67 -50.86 39.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -170.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -85.78 -32.99 21.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 -169.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -119.53 5.22 11.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 -168.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.47 170.32 46.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.9 pm0 -83.41 -20.97 33.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 111.175 178.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.12 -28.49 69.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.85 -9.28 85.64 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.5 tp -97.36 -30.6 12.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 111.206 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -86.99 -35.14 18.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.609 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -169.66 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.2 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.768 0.318 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -55.31 153.99 6.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 170.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 93' ' ' THR . 63.5 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.4 t60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.78 0.324 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.18 -40.36 24.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.263 169.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 88.0 mtp -59.63 -45.01 93.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 167.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -57.85 -50.47 73.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 174.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.96 -34.49 63.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -74.35 -43.81 55.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -70.66 -57.42 4.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 -174.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -118.52 -29.17 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -168.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 74.17 28.19 64.7 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.512 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.151 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 p30 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.764 0.316 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.442 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 5.9 m-30 -66.62 -25.42 66.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.185 -168.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -77.5 -35.18 53.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.216 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -85.97 -17.88 34.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 174.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.9 m -79.51 -34.82 40.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 171.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.3 tp -77.6 -44.93 26.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 176.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.97 41.79 1.38 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.0 mt -136.67 177.84 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.339 . . . . 0.0 111.225 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.8 154.66 27.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 166.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.3 ptt-85 -63.95 -13.32 45.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.267 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.5 19.79 21.46 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.05 171.47 4.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.221 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.2 p -99.39 160.95 13.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.209 -174.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -55.03 -41.74 71.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.78 -48.25 79.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -60.61 -38.53 85.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.403 HG21 ' HB3' ' A' ' 55' ' ' LEU . 81.8 mt -62.62 -42.2 95.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.225 178.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.68 -45.27 87.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -63.12 -51.54 66.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.07 -42.87 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.172 174.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -61.01 -43.51 98.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.238 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -54.74 -47.93 73.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 174.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -55.42 -45.67 76.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -76.6 -40.53 49.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 -171.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 175.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.28 -36.22 79.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.181 169.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -60.03 -41.76 92.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -106.27 5.68 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.256 -175.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 -49.68 138.35 17.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 174.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -52.1 -36.96 67.91 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.679 1.586 . . . . 0.0 111.158 -176.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -89.86 10.61 23.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.221 -176.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -124.44 -38.57 2.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -147.79 116.37 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -174.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -121.45 90.76 3.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.24 177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -146.15 125.07 6.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -55.52 128.73 31.63 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.736 1.624 . . . . 0.0 111.205 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.15 -44.68 1.58 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -177.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.35 80.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.186 167.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -54.91 -37.01 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.242 168.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -76.49 -37.04 57.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.268 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -56.24 -39.46 72.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 170.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.408 ' O ' ' HB ' ' A' ' 48' ' ' ILE . 1.4 t80 -61.53 -38.63 88.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 173.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.2 mttt -65.57 -37.58 87.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.272 173.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.34 -38.79 84.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.261 171.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.408 ' HB ' ' O ' ' A' ' 45' ' ' PHE . 28.3 mm -61.31 -42.66 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 174.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -49.06 -65.76 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 171.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -38.94 -48.6 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 170.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.43 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -62.59 -31.45 72.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.202 -174.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.616 ' O ' ' N ' ' A' ' 56' ' ' SER . 15.7 t80 -96.87 -43.55 7.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ALA . 95.0 m-20 -33.22 -50.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 164.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.479 HG13 ' HA ' ' A' ' 61' ' ' ARG . 43.1 t -61.98 -49.24 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 173.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.403 ' HB3' HG21 ' A' ' 20' ' ' ILE . 75.0 mt -94.45 2.59 55.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 -166.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.616 ' N ' ' O ' ' A' ' 52' ' ' TYR . 95.9 p -112.28 -18.67 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 172.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -133.38 118.95 15.09 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 -172.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HA ' ' HB3' ' A' ' 61' ' ' ARG . 81.5 Cg_exo -58.24 -17.37 32.31 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.779 1.653 . . . . 0.0 111.244 -174.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -69.4 -33.74 73.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.246 -171.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.55 ' NZ ' ' OG1' ' A' ' 93' ' ' THR . 99.5 mttt -106.03 -11.76 16.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 174.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.479 ' HA ' HG13 ' A' ' 54' ' ' VAL . 16.7 tpt180 -57.16 -60.43 3.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.217 175.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -51.66 -41.44 61.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.83 -66.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.176 -171.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -42.54 -54.08 4.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.45 -37.8 82.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.253 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -66.5 -53.92 29.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.244 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -115.69 -46.3 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.23 -176.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.65 -155.1 21.77 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.2 pm0 -84.52 -18.19 36.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 0.0 111.186 -173.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.2 -27.86 67.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.18 -5.49 87.3 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.3 mt -109.47 -27.38 9.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 111.176 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.415 ' HG3' ' HA ' ' A' ' 91' ' ' SER . 87.9 tttt -81.5 -46.09 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.206 175.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.566 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -174.032 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.415 ' HA ' ' HG3' ' A' ' 73' ' ' LYS . 21.8 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.811 0.338 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -81.53 147.78 29.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.254 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.55 ' OG1' ' NZ ' ' A' ' 60' ' ' LYS . 67.8 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.8 t60 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.799 0.333 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.43 -56.51 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.265 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 78.3 mtm -55.87 -55.72 29.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.472 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 41.4 t80 -63.82 -52.31 60.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.187 -174.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.98 -31.53 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -74.51 -44.29 51.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.243 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -72.21 -56.97 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -175.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -115.77 -30.21 6.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 -169.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.78 28.82 58.41 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 173.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.472 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.433 ' C ' ' OD1' ' A' ' 4' ' ' ASP . 27.9 p30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.795 0.331 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.503 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 3.3 m-30 -61.09 -33.69 73.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 -165.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -67.64 -30.58 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.216 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -86.5 -8.76 57.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.7 p -92.39 -26.29 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.6 mt -85.25 -27.16 26.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 170.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.48 31.5 16.03 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.5 mt -116.97 162.62 17.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.766 0.317 . . . . 0.0 111.233 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.81 151.56 28.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.225 166.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -49.42 -28.99 5.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.216 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.05 23.36 30.95 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -169.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.38 170.11 9.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.727 0.299 . . . . 0.0 111.208 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.9 p -94.82 157.4 15.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.5 -35.09 75.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.81 -46.54 84.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -68.77 -33.3 73.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.437 HG21 ' HB3' ' A' ' 55' ' ' LEU . 72.3 mt -60.78 -39.49 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 172.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.81 -37.15 85.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 175.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.06 -50.7 63.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.5 75.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -63.3 -45.46 91.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -51.88 -58.87 5.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 172.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -58.41 -41.49 85.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -173.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -75.16 -37.27 61.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.194 -173.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.36 70.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.208 172.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.18 -32.87 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.197 169.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -64.5 -35.42 80.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -111.68 10.05 21.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -177.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -49.85 139.67 16.48 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.265 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -52.1 -36.66 66.86 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.704 1.603 . . . . 0.0 111.224 -175.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -88.07 11.48 15.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -126.21 -38.45 2.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -175.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -147.68 115.71 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 -175.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.65 32.74 5.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.235 175.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -81.11 131.79 58.39 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.22 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -53.43 120.12 7.28 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.617 1.545 . . . . 0.0 111.248 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.77 -31.72 8.41 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' ' 44' ' ' LYS . . . -64.06 -31.47 72.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 111.248 173.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.81 -41.01 81.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 170.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -71.75 -34.69 69.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 174.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 98.7 mttt -67.41 -26.3 66.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 173.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -71.16 -38.86 72.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 171.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.1 mttt -61.49 -38.79 88.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.239 171.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -57.98 -42.96 86.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 173.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.8 -42.73 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 172.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -48.07 -53.18 17.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 174.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 34.8 tt0 -69.08 -30.94 69.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.67 -25.53 68.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.593 ' O ' ' N ' ' A' ' 56' ' ' SER . 32.3 t80 -104.32 -24.97 13.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.198 176.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.413 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 36.5 t0 -51.4 -51.52 54.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 165.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.425 ' HA ' ' HB2' ' A' ' 60' ' ' LYS . 45.0 t -52.12 -46.41 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 168.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.437 ' HB3' HG21 ' A' ' 20' ' ' ILE . 70.9 mt -101.09 0.33 37.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 -162.021 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 52' ' ' TYR . 88.4 p -105.93 -33.51 7.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 168.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -104.22 114.33 64.42 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 173.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -54.71 -37.13 91.67 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.723 1.615 . . . . 0.0 111.233 -167.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -82.0 8.94 9.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 -161.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 54' ' ' VAL . 63.4 mttp -115.22 -5.57 12.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.242 172.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.422 ' HA ' HG13 ' A' ' 54' ' ' VAL . 78.8 ttt180 -89.66 -35.45 15.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 173.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.93 -12.06 22.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.175 168.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.4 mt -100.82 -57.38 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.17 170.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CD2' HG11 ' A' ' 54' ' ' VAL . 37.6 t80 -47.77 -59.47 3.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.177 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.09 -39.87 95.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -61.04 -55.68 29.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -112.7 -47.56 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 135.97 -154.04 21.71 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.8 pm0 -85.33 -16.78 38.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 111.207 -175.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -61.87 -26.56 68.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.59 -3.61 88.98 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.0 mt -112.13 -21.55 11.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.844 0.355 . . . . 0.0 111.259 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -85.06 -37.65 20.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 170.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.501 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -174.425 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 CA--C 1.523 -0.082 0 CA-C-O 120.74 0.305 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -66.79 142.18 57.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.233 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 97.9 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.25 177.538 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 77.6 m80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.822 0.344 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.83 -54.55 45.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 78.8 mtm -54.82 -53.49 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.228 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.453 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 35.6 t80 -61.6 -52.39 64.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 -177.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.42 -37.55 70.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -68.89 -46.05 69.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -71.14 -58.92 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.237 -175.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -117.29 -23.09 7.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -165.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.16 38.19 87.73 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 169.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.453 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . . . . . . 0 CA--C 1.523 0.573 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.0 t0 . . . . . 0 CA--C 1.523 -0.092 0 CA-C-O 120.827 0.346 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.434 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 9.4 m-30 -56.42 -38.34 71.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -177.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -74.65 -35.01 62.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.221 -173.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -73.42 -16.36 61.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.199 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.5 p -96.34 -28.02 14.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 176.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.2 tp -78.47 -49.62 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.08 29.79 1.73 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.8 mt -128.91 170.48 13.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.156 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.24 158.72 26.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 166.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.1 ptt-85 -66.27 -13.43 60.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.201 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.51 21.23 24.14 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 171.37 5.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 111.21 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.9 p -102.71 160.96 14.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.183 -175.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -56.5 -40.45 74.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.42 -46.34 86.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -68.06 -34.49 76.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.235 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.487 HG21 ' HB3' ' A' ' 55' ' ' LEU . 78.5 mt -62.15 -39.58 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.234 175.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.19 -44.61 75.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -64.49 -56.07 16.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.225 177.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.69 -43.59 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.273 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -62.62 -42.36 99.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.24 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -56.22 -47.02 79.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.223 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -55.66 -46.29 77.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -75.74 -37.85 58.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.58 88.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 174.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.1 mt -66.72 -35.63 80.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.227 170.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -61.05 -40.63 94.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.239 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.452 ' HB3' ' HB2' ' A' ' 45' ' ' PHE . 72.2 m-85 -106.59 4.41 28.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 -175.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -47.87 139.1 9.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.178 174.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -51.85 -36.71 64.24 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.727 1.618 . . . . 0.0 111.205 -176.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -85.2 8.78 17.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.235 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -126.59 -36.24 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.218 -176.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.407 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 43.7 t-20 -149.24 113.42 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.205 -175.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -119.01 97.3 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.237 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -156.54 133.69 6.58 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.03 129.94 17.03 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.736 1.624 . . . . 0.0 111.2 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.59 -5.9 82.3 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -171.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.18 -34.58 6.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.783 0.325 . . . . 0.0 111.164 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -60.68 -26.33 67.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 160.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -73.56 -38.34 65.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 172.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.66 -40.03 82.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 168.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.452 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 1.7 t80 -59.55 -40.88 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.237 172.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.05 -38.66 92.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.19 176.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.5 -39.27 87.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 173.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.6 mm -67.45 -45.09 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.212 173.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.76 -50.82 43.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.186 171.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 53' ' ' ASP . 44.6 tp10 -61.1 -46.61 89.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.163 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.434 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -44.93 -62.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.224 170.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.518 ' O ' ' N ' ' A' ' 56' ' ' SER . 18.8 t80 -64.82 -39.9 94.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.223 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' A' ' 50' ' ' GLU . 32.6 t70 -39.31 -52.17 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.204 171.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.458 HG13 ' HA ' ' A' ' 61' ' ' ARG . 45.2 t -62.01 -45.07 99.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.207 172.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' HB3' HG21 ' A' ' 20' ' ' ILE . 68.1 mt -89.09 5.39 44.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -167.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 52' ' ' TYR . 88.4 p -124.5 -33.01 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 172.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -106.53 114.78 61.66 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -174.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -59.28 -20.97 58.1 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.662 1.575 . . . . 0.0 111.253 -174.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -73.33 -25.52 60.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.239 -171.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -107.11 -10.93 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.458 ' HA ' HG13 ' A' ' 54' ' ' VAL . 79.9 ttt180 -61.15 -58.76 7.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.227 173.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.15 -38.92 63.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.13 -66.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 -175.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -42.07 -57.15 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 172.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -54.84 -44.29 73.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 -177.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -81.38 -25.97 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -171.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -127.22 -56.31 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 -173.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.2 -147.1 17.21 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.6 mp0 -79.13 -46.23 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.149 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -71.1 -23.97 62.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.34 0.27 88.55 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 tp -111.59 -21.19 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.767 0.318 . . . . 0.0 111.176 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -89.45 -31.31 17.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 171.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -177.227 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.754 0.312 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -52.71 149.67 5.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.257 170.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 93' ' ' THR . 86.5 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.25 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.5 t60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.864 0.364 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.71 -49.5 58.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 170.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 74.3 mtm -61.54 -35.3 77.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 174.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.94 -48.89 79.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 172.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.12 -32.5 62.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.16 -42.87 45.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 176.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -70.42 -56.92 5.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.275 -175.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -117.33 -29.56 5.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.265 -170.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.37 27.29 61.86 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.574 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -179.154 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.3 t0 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.788 0.327 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.511 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 8.5 m-30 -53.09 -40.93 64.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 -174.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.401 ' CD1' ' HG2' ' A' ' 13' ' ' ARG . 46.8 m-85 -71.53 -27.95 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.239 -176.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -69.86 -26.54 64.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.218 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.8 p -89.59 -25.84 21.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.254 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.456 ' HA ' ' HG3' ' A' ' 27' ' ' GLN . 80.4 mt -78.4 -35.06 47.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.227 170.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.47 47.11 3.85 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.426 HD23 ' H ' ' A' ' 11' ' ' LEU . 1.3 pt? -148.81 175.84 10.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 111.183 175.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.72 143.32 42.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HG2' ' CD1' ' A' ' 6' ' ' TYR . 99.6 mtt180 -56.15 -24.69 42.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.255 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.96 22.66 31.13 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -175.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.09 174.45 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 111.15 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.1 p -98.57 163.89 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -52.69 -43.32 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -62.86 -47.67 82.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -62.94 -35.51 80.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.0 mt -62.35 -43.4 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 174.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.49 -42.95 98.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.18 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -64.96 -52.57 55.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.22 177.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.52 -43.29 71.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.252 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -64.39 -46.14 84.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.205 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -53.98 -48.89 69.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 177.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -51.65 -44.44 63.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.166 176.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.456 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 54.3 mm-40 -71.07 -46.55 61.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 -174.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.0 74.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.54 -37.0 84.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 170.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.79 -41.09 96.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.25 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.406 ' HA ' ' HB3' ' A' ' 36' ' ' ASN . 93.6 m-85 -104.37 9.08 35.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.256 -174.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -50.65 139.75 20.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 166.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.41 -36.44 69.4 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.603 1.535 . . . . 0.0 111.244 -175.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -88.65 9.09 25.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -126.09 -30.8 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.215 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 23.1 t-20 -148.18 125.39 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 176.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -126.77 85.36 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -138.94 140.73 27.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -177.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.15 130.44 16.48 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.648 1.565 . . . . 0.0 111.197 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.8 -41.59 2.62 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -176.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.9 -37.74 77.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.707 0.289 . . . . 0.0 111.178 171.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -53.99 -35.17 61.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.229 170.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -82.14 -33.93 29.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.5 -35.0 77.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.184 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.74 -43.01 90.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.2 173.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -58.1 -38.44 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.215 173.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -64.98 -45.24 86.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 174.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.454 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 83.1 mt -64.47 -23.36 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 174.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.73 -31.39 59.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.204 174.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -66.88 -36.24 81.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.184 171.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -49.53 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.224 170.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.558 ' O ' ' N ' ' A' ' 56' ' ' SER . 11.9 t80 -62.1 -39.26 91.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.251 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -41.48 -53.23 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 170.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.496 HG13 ' HA ' ' A' ' 61' ' ' ARG . 50.3 t -59.33 -45.04 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 173.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.2 mt -90.92 -8.07 50.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -164.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 52' ' ' TYR . 98.0 p -109.29 -31.69 7.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 174.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 45.5 t0 -110.57 116.51 52.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.19 -173.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 85.6 Cg_exo -59.24 -18.77 46.62 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.665 1.577 . . . . 0.0 111.216 -174.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -76.82 -26.09 54.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -171.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -107.96 -11.06 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.246 171.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.496 ' HA ' HG13 ' A' ' 54' ' ' VAL . 39.9 ttm180 -60.78 -55.97 26.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.198 172.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -52.72 -43.58 65.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.88 -69.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -172.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -41.7 -57.84 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 173.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -55.21 -43.51 74.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -68.63 -55.86 10.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.202 -173.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -111.43 -45.54 3.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.268 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.24 -152.2 19.67 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -77.85 -35.91 50.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 -173.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.61 -29.94 70.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.258 -175.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.53 -7.93 87.61 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.4 tp -104.37 -30.14 10.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -85.12 -35.0 22.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 174.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -176.878 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.3 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.758 0.313 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -47.32 144.01 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.186 172.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.716 ' O ' HG23 ' A' ' 93' ' ' THR . 12.7 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.197 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.4 t60 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.758 0.313 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.67 -39.81 26.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 169.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 89.9 mtp -59.62 -45.91 90.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.199 167.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -56.67 -49.94 73.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.252 174.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.22 -34.46 60.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -75.45 -41.7 55.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -73.19 -57.85 3.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.241 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -114.43 -29.31 6.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.205 -170.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 72.64 30.74 63.65 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 179.269 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.1 t0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.82 0.343 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.46 ' CG ' ' HA ' ' A' ' 51' ' ' ALA . 6.9 m-30 -53.84 -39.47 65.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.227 -172.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -76.11 -30.49 58.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -174.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -72.76 -29.59 63.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 170.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.7 m -75.28 -37.24 61.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.1 mt -78.26 -30.78 48.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.223 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.15 50.33 2.45 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 11' ' ' LEU . 2.2 pt? -157.06 179.47 9.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 175.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.96 148.9 36.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -176.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.93 -18.85 65.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.8 20.78 31.08 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -176.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.13 -176.11 2.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.77 0.319 . . . . 0.0 111.173 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.1 p -104.93 165.58 10.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -61.68 -32.43 72.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.92 -46.79 76.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 176.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -68.03 -31.77 71.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.437 HG21 ' HG ' ' A' ' 55' ' ' LEU . 79.3 mt -65.02 -40.44 89.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 173.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.75 -45.48 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -63.1 -49.14 75.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.208 174.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.13 -44.26 15.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 176.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -74.66 -49.51 21.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -36.14 -53.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 170.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -59.88 -57.1 14.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.181 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -66.51 -38.04 86.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.184 -168.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.22 91.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.267 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.6 -37.85 88.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 172.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -62.75 -42.26 99.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -106.15 7.17 31.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.287 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -48.8 139.34 11.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 169.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -52.47 -36.62 70.75 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.677 1.585 . . . . 0.0 111.223 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -87.25 9.21 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.45 -29.59 2.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.215 -176.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -148.04 122.29 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.0 88.13 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -150.61 132.5 7.88 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -69.54 134.06 27.52 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.713 1.608 . . . . 0.0 111.171 177.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.07 -44.93 1.84 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -174.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.36 -35.79 80.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 111.179 162.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -51.68 -36.66 47.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.267 166.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -82.2 -30.9 30.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -66.35 -30.73 71.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 172.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -73.87 -35.38 64.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.216 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 97.7 mttt -62.08 -36.74 82.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.209 168.133 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.45 -43.33 99.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.198 173.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.52 -46.97 95.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 173.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -41.06 -76.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.229 172.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -45.48 -34.88 3.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.46 ' HA ' ' CG ' ' A' ' 5' ' ' TYR . . . -68.01 -27.98 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.247 -175.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.532 ' O ' ' C ' ' A' ' 53' ' ' ASP . 61.1 t80 -105.0 -46.34 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.204 174.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.532 ' C ' ' O ' ' A' ' 52' ' ' TYR . 37.5 t70 -23.68 -55.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 175.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.468 HG23 HD22 ' A' ' 55' ' ' LEU . 8.7 m -78.1 -25.92 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.226 -171.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.8 mm? -73.94 -31.95 63.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 171.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.418 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 81.3 p -83.96 -15.65 47.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 174.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -121.87 101.76 41.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -65.03 -8.59 18.72 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.72 1.614 . . . . 0.0 111.154 -169.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -76.34 -40.96 49.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.211 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 63' ' ' ILE . 96.1 mttt -85.74 -39.57 17.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.22 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -26.57 -47.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.212 159.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 66' ' ' ARG . 71.6 mm-40 -68.05 -27.15 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.268 -175.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 60' ' ' LYS . 96.8 mt -82.18 -67.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 168.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -49.44 -70.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.249 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.21 -42.73 99.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.225 -168.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 60.7 ttm-85 -64.14 -55.98 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -106.44 -57.2 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -170.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 147.84 -169.07 28.68 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -79.68 -32.39 41.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 111.201 -172.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.39 -26.72 68.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.47 -7.5 87.46 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.0 tp -102.6 -27.54 12.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 111.192 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -89.01 -34.83 16.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.211 172.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.536 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -171.396 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.82 0.343 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -47.55 140.72 5.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.178 169.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 93' ' ' THR . 53.1 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.246 172.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.4 t60 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.81 0.338 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.79 -50.94 72.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.254 166.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 76.7 mtm -60.82 -38.4 85.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.73 -47.79 84.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.52 -33.74 64.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -75.26 -42.61 54.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.18 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -69.8 -56.02 8.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 -177.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -118.39 -31.43 4.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.181 -169.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 79.81 29.24 48.23 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.544 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.177 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mtp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.789 0.328 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.72 137.08 14.03 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -92.56 42.48 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 0.0 111.233 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -61.09 113.76 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -177.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -53.11 -40.76 64.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.424 ' CG ' ' HA ' ' A' ' 13' ' ' ARG . 95.1 m-85 -69.72 -32.61 71.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.149 -175.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -76.79 -23.51 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.7 p -85.09 -24.77 27.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 174.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.1 mt -75.98 -34.01 59.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 167.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.51 47.39 3.76 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.471 HD12 ' C ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -158.56 178.53 10.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 111.215 178.68 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.71 148.7 36.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -173.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' HA ' ' CG ' ' A' ' 6' ' ' TYR . 99.5 mtt180 -62.34 -16.13 52.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.221 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.04 20.96 32.49 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.22 174.7 6.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 111.2 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.7 p -99.17 162.66 12.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 -177.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -54.12 -41.31 68.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -63.16 -46.59 86.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -63.77 -36.24 83.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.182 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.91 -38.95 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.04 -46.42 71.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -65.51 -51.18 61.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.233 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.01 -42.25 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.222 174.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.436 ' OH ' ' O ' ' A' ' 98' ' ' PRO . 50.2 t80 -64.17 -41.13 97.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.242 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -55.87 -49.97 71.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.253 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -52.43 -45.4 65.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -73.97 -42.67 60.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 -174.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.1 -35.0 79.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 176.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.87 -38.71 89.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 170.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -60.57 -39.72 89.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.266 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.418 ' HA ' ' HB3' ' A' ' 36' ' ' ASN . 97.7 m-85 -108.6 7.65 26.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.258 -175.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -48.98 139.25 12.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.187 169.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -52.49 -36.33 69.8 Favored 'Trans proline' 0 C--N 1.328 -0.533 0 C-N-CA 121.714 1.609 . . . . 0.0 111.131 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -87.88 8.47 25.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -124.82 -35.05 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 41.4 t-20 -147.37 120.13 8.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -123.82 88.38 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.274 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -148.67 131.68 8.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.167 -177.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.08 132.39 24.32 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.675 1.583 . . . . 0.0 111.204 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.15 -47.74 1.34 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -174.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.03 -38.26 88.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 0.0 111.22 167.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -54.6 -34.68 62.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 170.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -79.5 -36.96 37.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.35 -40.32 81.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 170.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.52 -40.92 96.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.237 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.81 -42.83 94.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 173.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.17 -37.33 87.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.231 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.5 mt -70.55 -45.42 74.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 98' ' ' PRO . . . -54.35 -39.54 67.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 171.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -66.22 -46.49 77.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.223 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.24 -56.74 5.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 173.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.494 ' O ' ' C ' ' A' ' 53' ' ' ASP . 76.6 t80 -66.54 -46.76 75.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 52' ' ' TYR . 35.9 t70 -27.52 -56.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 176.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.435 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 1.5 m -74.18 -33.54 35.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -174.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.488 ' HA ' HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -66.06 -29.2 69.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.211 176.656 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 94.9 p -90.86 -23.08 20.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -117.53 109.06 42.33 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.241 -173.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -59.79 -18.04 46.59 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.707 1.604 . . . . 0.0 111.248 -172.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -74.02 -32.43 63.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 -171.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -104.15 -6.61 20.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 172.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 56.6 ttt180 -67.52 -51.88 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.168 178.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -52.08 -38.52 57.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.226 174.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.54 -62.39 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.189 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -42.58 -57.61 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 169.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -56.91 -42.88 80.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -66.76 -55.68 13.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.229 -173.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -111.76 -44.73 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.264 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.84 -150.81 19.14 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.6 mp0 -79.04 -36.32 41.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 111.238 -173.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.8 -29.46 69.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.175 -175.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.17 -3.62 88.47 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 tp -110.49 -27.92 8.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.754 0.312 . . . . 0.0 111.231 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -80.17 -37.85 32.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 116.88 31.04 1.83 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 82.3 p -136.81 17.93 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.751 0.31 . . . . 0.0 111.196 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.96 -131.61 4.12 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -176.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -54.25 -44.77 46.39 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.702 1.601 . . . . 0.0 111.176 -174.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.1 p -100.55 41.42 1.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.186 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.27 135.19 48.26 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 -171.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 106.73 -39.12 3.0 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 92.4 p -88.86 -20.92 24.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.206 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 42.67 69.27 0.63 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 62.36 -103.17 0.56 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -175.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.39 12.33 23.66 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.84 78.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 111.279 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 68.08 -84.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 173.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -119.56 12.93 10.97 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 92.4 m -99.33 135.8 40.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.713 0.292 . . . . 0.0 111.252 -172.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.4 p -75.46 154.44 37.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 175.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -168.33 122.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -171.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.9 p -91.03 173.63 7.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.192 172.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -46.37 142.46 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.256 170.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.699 ' O ' HG23 ' A' ' 93' ' ' THR . 10.3 t -71.03 73.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.228 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -74.94 -9.82 58.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -52.21 -54.35 32.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.202 166.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.97 86.8 0.01 OUTLIER Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 160.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -120.0 96.75 49.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.335 . . . . 0.0 111.159 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.436 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 84.1 Cg_endo -78.14 45.64 1.87 Allowed 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.718 1.612 . . . . 0.0 111.175 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -88.93 -21.12 23.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.221 159.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.86 -43.09 63.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.224 166.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 67.6 mtt -57.6 -50.24 73.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 169.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.439 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 51.1 t80 -58.78 -50.46 73.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.24 -35.85 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -74.84 -44.38 49.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.22 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.28 -55.63 8.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 -174.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -116.66 -30.05 5.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.188 -170.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.82 27.95 59.81 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.439 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . 69.52 35.7 75.56 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.3 178.8 6.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 111.198 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 . . . . . 0 C--O 1.2 -1.542 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 179.682 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.5 mmm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.781 0.324 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.41 102.91 0.93 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 21.0 ptmt -162.86 44.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.829 0.347 . . . . 0.0 111.239 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -154.94 115.35 3.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 -173.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.525 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 3.9 m-30 -54.71 -39.41 68.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -173.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -70.74 -32.45 69.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.193 -176.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -81.43 -16.05 53.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.7 p -89.39 -26.88 20.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.491 ' HA ' ' HG3' ' A' ' 27' ' ' GLN . 83.6 mt -82.3 -31.57 29.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.27 171.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.29 45.94 5.15 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 175.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.436 HD23 ' H ' ' A' ' 11' ' ' LEU . 1.9 pt? -146.45 174.11 11.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.791 0.329 . . . . 0.0 111.23 174.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.62 144.76 37.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.5 ptt-85 -63.49 -14.96 56.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.263 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.86 19.68 30.17 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.18 177.85 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 111.2 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.7 p -100.55 164.62 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -53.55 -40.67 65.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.185 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -66.88 -43.68 82.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.227 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -65.72 -36.27 83.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.448 HG21 ' HB3' ' A' ' 55' ' ' LEU . 81.1 mt -61.52 -41.75 91.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 174.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -67.88 -40.85 83.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -66.1 -48.01 72.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.0 -44.87 71.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.239 173.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -61.88 -45.66 92.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.25 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -54.18 -50.6 66.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.241 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -53.38 -45.17 69.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.491 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 5.8 mm100 -75.89 -41.43 52.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -172.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.01 -32.66 74.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.71 -37.85 85.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.232 168.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -61.99 -41.01 97.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -105.56 11.24 32.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 -175.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.4 t-80 -52.52 139.15 39.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.223 167.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -52.42 -36.02 67.8 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.66 1.573 . . . . 0.0 111.204 -175.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -90.18 9.26 29.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 -176.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -123.96 -36.12 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -149.9 110.21 4.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -123.08 36.84 4.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -85.47 150.98 55.36 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.194 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.53 124.09 15.43 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.721 1.614 . . . . 0.0 111.247 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.16 -23.63 35.58 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.47 77.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.841 0.353 . . . . 0.0 111.217 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.77 -42.98 68.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.264 172.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -74.39 -34.02 63.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.214 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.71 -32.42 73.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 174.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.15 -37.82 81.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.149 172.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.2 mttt -62.57 -38.22 89.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 172.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -57.87 -39.54 78.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.279 173.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.4 mm -65.98 -41.79 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 174.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -45.62 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 173.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' HA ' ' HB2' ' A' ' 53' ' ' ASP . 15.4 pt-20 -42.63 -34.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 177.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.525 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -68.84 -32.06 71.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -177.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 56' ' ' SER . 31.4 t80 -99.44 -40.4 7.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.172 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.404 ' HB2' ' HA ' ' A' ' 50' ' ' GLU . 92.1 m-20 -31.21 -54.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 164.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.515 HG13 ' HA ' ' A' ' 61' ' ' ARG . 43.9 t -60.09 -42.95 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.448 ' HB3' HG21 ' A' ' 20' ' ' ILE . 67.9 mt -94.73 -1.76 52.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.253 -167.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 52' ' ' TYR . 79.4 p -109.22 -28.52 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 173.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -123.67 117.36 27.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.217 -172.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -57.47 -18.82 33.43 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.62 1.547 . . . . 0.0 111.207 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -66.16 -36.4 83.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.19 -175.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -103.99 -9.24 19.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.515 ' HA ' HG13 ' A' ' 54' ' ' VAL . 80.3 ttt180 -57.51 -62.34 1.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.264 172.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -51.98 -38.26 56.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.251 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.4 -68.73 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.274 -174.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' GLY . 63.8 t80 -42.9 -58.21 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 170.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -50.56 -42.95 56.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -71.58 -56.37 6.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 -175.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -106.39 -44.24 4.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 -174.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . 117.51 -142.44 17.27 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -75.0 -45.45 41.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 111.235 -174.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.8 mp0 -60.17 -27.21 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.71 -4.68 88.79 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.5 tp -114.32 -23.34 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.176 176.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -71.5 -57.27 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 169.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.59 56.08 5.04 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -175.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.9 p -114.02 18.82 16.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 0.0 111.192 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.91 176.9 19.92 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -177.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -80.1 68.37 8.33 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.704 1.603 . . . . 0.0 111.207 -175.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.8 m -63.08 124.78 22.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -177.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.66 -18.95 49.14 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -178.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -106.45 26.7 19.21 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.8 t -56.08 143.68 31.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 111.15 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.92 85.75 0.78 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -175.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.76 21.94 13.29 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -103.26 -137.03 9.28 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.86 157.11 37.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.743 0.306 . . . . 0.0 111.199 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -51.24 127.98 20.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.28 -20.34 42.97 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.9 m -48.78 99.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 111.239 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.0 t -72.26 135.06 45.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -75.4 132.62 41.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 174.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 92' ' ' TYR . 38.8 t -56.08 -156.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 171.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.461 ' N ' ' OG ' ' A' ' 91' ' ' SER . 67.3 m-85 -95.45 150.54 20.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.224 -173.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 99.1 m -68.81 79.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 173.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -76.27 133.37 40.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -82.74 72.72 9.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 -173.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.52 -117.78 0.82 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -93.64 109.1 38.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 111.184 -171.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -77.17 -8.61 17.62 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.711 1.607 . . . . 0.0 111.219 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -92.75 -22.68 19.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 -169.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.63 72.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 77.9 mtm -56.68 -46.9 80.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.464 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 30.9 t80 -64.29 -51.28 64.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.233 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.79 -34.42 67.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.223 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -72.3 -46.89 53.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.28 -53.32 17.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 -174.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -118.35 -32.04 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.214 -169.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 78.1 24.98 62.74 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.464 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . 68.9 39.52 85.29 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -137.04 175.21 9.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 111.224 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.245 177.816 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.773 0.321 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.53 151.62 15.42 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -105.68 118.11 35.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.774 0.321 . . . . 0.0 111.227 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -57.05 118.55 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.209 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.437 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 8.8 m-30 -65.61 -25.48 67.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.216 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -79.33 -30.14 42.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -80.43 -15.04 57.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 170.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.7 m -79.07 -32.97 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 171.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 mp -97.06 -12.69 22.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.53 32.01 58.12 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.3 mt -112.3 166.26 11.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 111.258 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.87 154.35 28.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.22 164.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -50.43 -31.69 15.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.82 28.99 13.06 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 -169.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.89 113.29 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.753 0.311 . . . . 0.0 111.194 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.2 p -48.9 162.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -62.08 -26.63 68.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.219 -170.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -69.15 -43.04 75.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -70.23 -33.67 71.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.8 mt -61.29 -42.56 94.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.234 173.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.25 -39.99 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.293 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -65.09 -55.4 19.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.48 -43.45 55.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 173.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -61.47 -44.48 97.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.239 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.517 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 36.1 ttm180 -55.64 -48.07 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 176.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.83 -40.25 94.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -176.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.572 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 5.0 mm-40 -74.54 -39.89 62.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.237 -177.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.24 80.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.0 mt -73.65 -31.98 63.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 172.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -61.89 -37.41 84.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.189 175.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -106.14 13.28 29.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.419 ' NE2' ' O ' ' A' ' 109' ' ' ARG . 61.1 t-80 -53.14 136.02 49.24 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.208 168.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -52.51 -35.16 65.4 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.683 1.589 . . . . 0.0 111.172 -176.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -93.99 10.79 32.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -121.89 -39.8 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -146.31 120.41 9.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -131.21 83.95 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 169.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -123.95 152.98 67.4 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -173.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -56.04 117.7 4.38 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.705 1.603 . . . . 0.0 111.184 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.86 -21.59 45.19 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.84 -35.88 81.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 111.201 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.23 -44.77 68.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 171.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -74.31 -33.9 63.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.15 -28.56 68.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.207 175.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.91 -35.06 59.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.262 174.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 97.5 mttt -62.84 -39.45 94.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 170.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.72 -36.29 69.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.5 mm -71.21 -43.13 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.193 171.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -47.35 -57.95 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.264 175.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -70.34 -34.92 73.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -176.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -51.41 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.254 172.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.607 ' O ' ' N ' ' A' ' 56' ' ' SER . 21.6 t80 -63.17 -39.93 96.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -41.93 -51.27 4.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.527 HG13 ' HA ' ' A' ' 61' ' ' ARG . 43.3 t -61.6 -46.01 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.203 171.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 51' ' ' ALA . 66.6 mt -90.02 7.55 37.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 -168.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 52' ' ' TYR . 95.8 p -124.01 -34.92 2.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 171.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -107.74 115.91 58.27 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.184 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -60.88 -15.37 37.9 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.699 1.599 . . . . 0.0 111.206 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -77.52 -23.41 50.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -172.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -107.21 -10.91 15.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.234 171.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.527 ' HA ' HG13 ' A' ' 54' ' ' VAL . 42.7 ttp85 -58.36 -60.99 2.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 172.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -52.26 -40.61 61.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.227 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.49 -69.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 -173.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -42.51 -56.63 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 174.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -54.72 -44.2 73.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.182 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 -68.6 -53.45 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.211 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -120.34 -44.86 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.241 -177.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.69 -128.51 7.84 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -175.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -83.62 -7.94 59.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.313 . . . . 0.0 111.181 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.56 -31.17 72.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.177 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -114.34 -21.18 5.62 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.7 tp -79.86 -38.88 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 111.184 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -91.36 -33.35 15.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.24 166.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.4 26.86 16.76 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -171.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.0 p -103.05 22.47 13.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.181 -174.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.68 -176.53 1.12 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -75.36 -23.29 13.36 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.712 1.608 . . . . 0.0 111.179 -172.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.7 p -86.0 167.65 14.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.95 -13.14 9.47 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.0 -25.91 54.53 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 96.5 p -95.63 6.07 49.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.862 0.363 . . . . 0.0 111.259 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.56 -37.33 85.07 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -175.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.91 -106.39 2.27 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -105.75 6.59 41.19 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.23 -15.77 59.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 111.229 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -103.29 152.02 22.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.17 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 68.3 -83.77 0.19 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.6 m -63.82 139.49 58.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 111.138 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.6 t -55.91 130.05 42.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -154.64 134.95 13.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -169.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.6 t -111.36 -143.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.195 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -97.59 160.03 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 93' ' ' THR . 92.8 m -72.89 67.62 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 173.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -73.99 140.96 45.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.188 174.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -65.82 137.16 57.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.214 172.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.22 -70.23 1.01 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -109.84 84.55 3.45 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 111.27 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -77.76 2.32 7.97 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.684 1.589 . . . . 0.0 111.245 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -92.57 -16.86 25.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.01 -48.32 53.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 -178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 77.6 mtm -54.12 -40.27 67.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.259 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.517 ' CE1' ' HA ' ' A' ' 25' ' ' ARG . 13.2 t80 -75.52 -43.73 47.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.181 -178.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.48 -34.04 60.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.197 175.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -74.87 -39.89 61.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 175.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -72.8 -59.35 2.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.401 ' HB3' ' CE1' ' A' ' 102' ' ' PHE . 82.1 t80 -115.56 -35.06 4.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 -170.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.97 36.91 9.65 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -174.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.436 ' HA3' ' CE2' ' A' ' 102' ' ' PHE . . . -81.38 65.02 4.08 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 170.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.419 ' O ' ' NE2' ' A' ' 32' ' ' HIS . 80.0 ttt180 -48.38 110.85 0.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.754 0.311 . . . . 0.0 111.242 -167.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 179.521 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mtp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.822 0.344 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.07 -157.76 33.19 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.294 -0.723 . . . . 0.0 111.294 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -120.53 108.95 14.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.745 0.307 . . . . 0.0 111.176 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -76.53 108.35 9.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.23 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.516 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 4.7 m-30 -59.11 -35.73 73.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.244 -177.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -76.39 -31.83 58.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.287 -173.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -80.77 -18.78 46.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 172.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.3 m -75.79 -39.55 56.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.252 171.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.44 ' HA ' ' HG3' ' A' ' 27' ' ' GLN . 76.9 mt -84.37 -27.3 27.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 -178.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.9 46.47 6.26 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.444 HD23 ' H ' ' A' ' 11' ' ' LEU . 1.3 pt? -144.77 172.67 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 111.213 173.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.21 148.64 37.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 ptt-85 -63.92 -18.02 63.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.19 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.74 22.44 33.84 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.17 115.61 13.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 111.14 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.0 p -48.81 163.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 171.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.431 ' HA ' HD12 ' A' ' 20' ' ' ILE . 99.9 m-20 -65.46 -26.2 67.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -167.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.88 -36.54 72.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 82.4 mm-40 -73.9 -28.22 61.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 173.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 17' ' ' ASP . 90.3 mt -68.63 -46.89 79.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 173.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -48.8 -50.94 31.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.178 171.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -62.68 -58.52 7.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.72 -46.54 29.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.493 ' OH ' ' O ' ' A' ' 98' ' ' PRO . 65.0 t80 -65.82 -44.81 84.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -54.83 -49.78 70.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -52.43 -46.29 66.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.259 175.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.452 ' HB3' HD13 ' A' ' 48' ' ' ILE . 54.7 mm-40 -70.79 -45.5 64.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 -174.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.52 -34.31 77.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.63 -41.48 98.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 170.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -63.62 -41.51 98.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.222 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.455 ' HA ' ' HB3' ' A' ' 36' ' ' ASN . 67.4 m-85 -103.92 7.54 36.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -174.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -49.2 139.37 13.45 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 167.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -52.17 -36.47 66.83 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.745 1.63 . . . . 0.0 111.202 -175.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -87.91 8.81 24.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.242 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.11 -29.21 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.455 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 62.2 t-20 -154.08 109.68 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 177.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -120.12 89.98 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -149.09 130.19 7.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.198 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -54.97 129.28 34.44 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.651 1.567 . . . . 0.0 111.221 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.62 -47.4 1.32 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.24 84.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 111.177 166.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -54.83 -34.92 63.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 169.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -79.17 -35.87 41.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.226 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -58.99 -35.69 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 171.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.7 -38.14 83.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 175.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.72 -40.19 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 171.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.49 -37.37 85.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 174.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.452 HD13 ' HB3' ' A' ' 27' ' ' GLN . 80.4 mt -66.47 -46.09 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.208 172.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.21 -41.22 60.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.193 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -69.95 -41.23 74.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 174.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.516 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -56.33 -26.31 52.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 56' ' ' SER . 13.5 t80 -98.64 -40.74 8.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -30.99 -54.63 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 166.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' A' ' 61' ' ' ARG . 37.6 t -62.57 -44.62 99.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 177.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.431 ' HB3' HG21 ' A' ' 20' ' ' ILE . 74.9 mt -89.17 -2.92 58.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -168.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 52' ' ' TYR . 88.0 p -113.3 -21.99 10.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 175.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 54.1 t0 -120.47 115.19 32.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.236 -173.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HA ' ' HB3' ' A' ' 61' ' ' ARG . 86.3 Cg_exo -59.0 -18.74 44.63 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.66 1.573 . . . . 0.0 111.177 -174.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -77.17 -25.19 51.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 -172.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -108.9 -10.47 15.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.204 172.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.441 ' HA ' HG13 ' A' ' 54' ' ' VAL . 15.9 tpt180 -67.96 -50.09 57.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 174.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -55.93 -39.89 72.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.271 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.3 mt -71.41 -69.72 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -175.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -39.22 -55.88 1.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -59.7 -44.5 93.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.232 -173.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -83.09 -23.73 32.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.206 -173.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -125.5 -65.84 0.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.201 -175.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.12 -151.56 20.3 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -74.49 -42.73 58.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 111.21 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.79 -34.28 75.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.245 -173.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.1 -10.74 80.02 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.0 tp -98.53 -33.85 10.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 111.24 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -79.34 -39.39 32.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 174.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.78 46.97 3.54 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 -172.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 81.7 p -137.79 23.13 2.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.77 0.319 . . . . 0.0 111.122 -176.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.51 -176.77 50.56 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -177.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.82 158.37 38.3 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.719 1.613 . . . . 0.0 111.226 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 92.6 p -55.69 -39.47 71.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.33 47.68 1.02 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 169.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -143.05 -19.67 0.22 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.5 p -86.91 -178.17 6.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 111.156 -177.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -102.19 28.18 17.05 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 122.62 -23.66 7.03 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.15 75.13 0.64 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -149.69 49.75 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 111.205 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -103.06 -10.66 18.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.66 -54.76 0.63 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.9 m -97.37 117.25 31.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.781 0.324 . . . . 0.0 111.214 176.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.3 m -104.1 138.98 39.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -79.07 145.17 33.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.222 175.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.7 p -64.17 161.17 16.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -44.92 144.6 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 172.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.73 ' O ' HG23 ' A' ' 93' ' ' THR . 11.7 t -71.17 74.68 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 -170.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -77.91 -3.9 44.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 -175.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -61.29 -56.03 25.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.25 168.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.5 88.23 0.01 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 162.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 97' ' ' ASP . 39.1 t0 -122.78 97.96 43.48 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.808 0.337 . . . . 0.0 111.231 -174.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.493 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 85.9 Cg_endo -77.79 49.06 2.82 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.71 1.606 . . . . 0.0 111.154 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -91.14 -18.86 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 160.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.88 -41.85 25.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 169.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -59.39 -40.68 87.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 168.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -62.96 -47.21 84.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 175.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.53 -33.93 60.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -76.17 -42.88 45.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 176.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.99 -55.2 8.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.232 -174.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -118.49 -33.73 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.237 -172.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 74.22 19.88 79.74 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.84 59.53 3.43 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -153.87 159.84 41.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 111.209 -175.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 . . . . . 0 C--O 1.199 -1.565 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.193 174.1 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.4 mmm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.815 0.341 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.99 79.64 0.61 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -100.07 -30.39 11.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.197 -178.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -103.44 96.55 6.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 174.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.435 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 5.6 m-30 -61.98 -27.69 69.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -172.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -75.62 -32.21 60.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -71.21 -24.2 62.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.5 p -94.27 -27.54 16.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -177.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.6 tp -82.58 -39.09 22.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.176 173.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.58 32.04 4.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 173.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.4 mt -130.57 174.15 10.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.27 160.53 21.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 166.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -66.23 -14.2 61.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.2 20.99 13.59 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -174.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.89 172.78 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 111.183 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.5 p -100.12 160.48 14.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 -174.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -53.45 -43.23 67.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.42 -47.61 83.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.28 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -61.03 -40.21 92.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.03 -43.23 92.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.194 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.41 -47.42 79.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -64.19 -52.97 56.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.98 -47.21 52.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.221 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ARG . 78.6 t80 -64.78 -59.34 4.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 -177.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' TYR . 15.0 ttm180 -26.47 -62.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.212 166.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -56.39 -42.88 78.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -75.75 -43.85 44.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 -174.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.25 -34.66 76.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.195 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.9 mt -64.57 -38.93 92.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 169.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -61.35 -40.48 94.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -105.28 8.66 33.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.223 -176.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -51.18 139.84 23.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 169.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -52.13 -36.86 67.94 Favored 'Trans proline' 0 N--CA 1.458 -0.618 0 C-N-CA 121.73 1.62 . . . . 0.0 111.231 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -87.44 7.62 28.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -176.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -124.32 -33.83 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -175.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -146.84 126.23 13.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.22 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -129.05 85.11 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -139.24 140.62 26.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -72.69 127.15 12.07 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.716 1.611 . . . . 0.0 111.205 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.42 -39.93 2.7 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.29 87.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.254 167.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -54.52 -36.82 64.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 169.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -77.28 -37.54 52.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.232 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -56.64 -39.75 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.203 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.28 -37.99 89.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.6 mttt -65.21 -40.24 93.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 173.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -60.86 -31.63 71.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 173.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.5 mt -77.3 -38.98 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 173.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.494 ' HB1' ' HD2' ' A' ' 98' ' ' PRO . . . -50.06 -41.42 47.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.222 168.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -70.27 -40.34 74.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.185 172.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.87 -32.49 67.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.556 ' O ' ' N ' ' A' ' 56' ' ' SER . 44.5 t80 -97.1 -45.63 6.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.216 -175.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -35.18 -44.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 163.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 61' ' ' ARG . 41.3 t -65.1 -63.21 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 170.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.525 ' HA ' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -72.36 -7.33 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.244 -167.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 52' ' ' TYR . 96.5 p -100.24 -16.12 17.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.218 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -134.15 116.24 13.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -171.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -59.64 -14.92 28.53 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.742 1.628 . . . . 0.0 111.121 -173.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -76.41 -29.01 56.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.258 -170.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -112.16 -6.43 14.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.21 172.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.491 ' HA ' HG13 ' A' ' 54' ' ' VAL . 42.0 ttm180 -59.94 -55.99 27.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.218 173.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -54.35 -41.64 69.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.18 -72.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.221 -170.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CE2' ' HB2' ' A' ' 5' ' ' TYR . 19.5 t80 -41.95 -53.62 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.216 176.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.67 -50.86 39.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -170.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -85.78 -32.99 21.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 -169.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -119.53 5.22 11.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 -168.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.47 170.32 46.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.9 pm0 -83.41 -20.97 33.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 111.175 178.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.12 -28.49 69.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.85 -9.28 85.64 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.5 tp -97.36 -30.6 12.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 111.206 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -86.99 -35.14 18.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.404 ' HA3' ' HA2' ' A' ' 82' ' ' GLY . . . 88.97 39.42 6.5 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -169.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.487 ' HA ' ' HA2' ' A' ' 79' ' ' GLY . 82.4 p -116.97 13.15 14.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.737 0.303 . . . . 0.0 111.139 -175.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -98.46 -117.47 3.79 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -171.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -54.17 -41.4 76.15 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.725 1.617 . . . . 0.0 111.209 -174.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.6 p -110.89 40.85 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 177.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.487 ' HA2' ' HA ' ' A' ' 75' ' ' SER . . . -37.22 117.91 0.5 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 178.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.25 -29.57 5.47 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.478 ' O ' ' C ' ' A' ' 82' ' ' GLY . 86.4 p -67.33 -27.74 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 111.196 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 81' ' ' SER . . . 32.54 68.5 0.16 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 177.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.0 -106.1 1.47 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.05 8.99 42.7 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 86' ' ' ASN . . . -64.88 -32.27 73.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.763 0.316 . . . . 0.0 111.143 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 95.6 m-20 68.62 -85.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.233 174.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -123.78 10.6 8.44 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.8 p -107.38 173.82 6.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.329 . . . . 0.0 111.178 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.6 t -74.81 148.26 40.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.246 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -161.42 125.01 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -176.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.2 p -111.67 177.17 4.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.238 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -55.31 153.99 6.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 170.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 93' ' ' THR . 63.5 m -75.34 67.16 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -178.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -70.25 -21.4 62.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -57.83 -55.57 33.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 173.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.79 88.65 0.01 OUTLIER Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 167.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -119.88 111.24 35.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.171 -172.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.494 ' HD2' ' HB1' ' A' ' 49' ' ' ALA . 86.7 Cg_endo -75.66 49.1 2.34 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.698 1.598 . . . . 0.0 111.235 177.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -90.57 -17.53 26.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.207 164.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.18 -40.36 24.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.263 169.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 88.0 mtp -59.63 -45.01 93.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 167.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -57.85 -50.47 73.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 174.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.96 -34.49 63.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -74.35 -43.81 55.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -70.66 -57.42 4.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 -174.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -118.52 -29.17 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -168.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 74.17 28.19 64.7 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.67 35.28 80.21 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -137.79 158.28 44.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 0.0 111.183 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.25 -176.755 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.8 mmm . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 63.6 -127.15 36.42 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -131.1 67.41 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.308 . . . . 0.0 111.183 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 p30 -73.16 -159.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.27 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.442 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 5.9 m-30 -66.62 -25.42 66.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.185 -168.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -77.5 -35.18 53.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.216 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -85.97 -17.88 34.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 174.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.9 m -79.51 -34.82 40.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 171.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.3 tp -77.6 -44.93 26.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 176.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.97 41.79 1.38 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.0 mt -136.67 177.84 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.339 . . . . 0.0 111.225 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.8 154.66 27.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 166.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.3 ptt-85 -63.95 -13.32 45.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.267 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.5 19.79 21.46 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.05 171.47 4.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.221 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.2 p -99.39 160.95 13.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.209 -174.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -55.03 -41.74 71.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.78 -48.25 79.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -60.61 -38.53 85.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.403 HG21 ' HB3' ' A' ' 55' ' ' LEU . 81.8 mt -62.62 -42.2 95.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.225 178.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.68 -45.27 87.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -63.12 -51.54 66.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.07 -42.87 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.172 174.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -61.01 -43.51 98.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.238 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -54.74 -47.93 73.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 174.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -55.42 -45.67 76.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -76.6 -40.53 49.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 -171.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 175.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.28 -36.22 79.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.181 169.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -60.03 -41.76 92.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -106.27 5.68 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.256 -175.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 -49.68 138.35 17.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 174.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -52.1 -36.96 67.91 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.679 1.586 . . . . 0.0 111.158 -176.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -89.86 10.61 23.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.221 -176.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -124.44 -38.57 2.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -147.79 116.37 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -174.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -121.45 90.76 3.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.24 177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -146.15 125.07 6.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -55.52 128.73 31.63 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.736 1.624 . . . . 0.0 111.205 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.15 -44.68 1.58 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -177.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.35 80.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.186 167.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -54.91 -37.01 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.242 168.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -76.49 -37.04 57.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.268 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -56.24 -39.46 72.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 170.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.408 ' O ' ' HB ' ' A' ' 48' ' ' ILE . 1.4 t80 -61.53 -38.63 88.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 173.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.2 mttt -65.57 -37.58 87.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.272 173.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.34 -38.79 84.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.261 171.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.408 ' HB ' ' O ' ' A' ' 45' ' ' PHE . 28.3 mm -61.31 -42.66 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 174.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -49.06 -65.76 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 171.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -38.94 -48.6 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 170.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.43 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -62.59 -31.45 72.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.202 -174.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.616 ' O ' ' N ' ' A' ' 56' ' ' SER . 15.7 t80 -96.87 -43.55 7.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ALA . 95.0 m-20 -33.22 -50.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 164.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.479 HG13 ' HA ' ' A' ' 61' ' ' ARG . 43.1 t -61.98 -49.24 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 173.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.403 ' HB3' HG21 ' A' ' 20' ' ' ILE . 75.0 mt -94.45 2.59 55.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 -166.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.616 ' N ' ' O ' ' A' ' 52' ' ' TYR . 95.9 p -112.28 -18.67 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 172.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -133.38 118.95 15.09 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 -172.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HA ' ' HB3' ' A' ' 61' ' ' ARG . 81.5 Cg_exo -58.24 -17.37 32.31 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.779 1.653 . . . . 0.0 111.244 -174.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -69.4 -33.74 73.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.246 -171.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.55 ' NZ ' ' OG1' ' A' ' 93' ' ' THR . 99.5 mttt -106.03 -11.76 16.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 174.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.479 ' HA ' HG13 ' A' ' 54' ' ' VAL . 16.7 tpt180 -57.16 -60.43 3.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.217 175.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -51.66 -41.44 61.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.83 -66.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.176 -171.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -42.54 -54.08 4.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.45 -37.8 82.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.253 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -66.5 -53.92 29.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.244 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -115.69 -46.3 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.23 -176.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.65 -155.1 21.77 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.2 pm0 -84.52 -18.19 36.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 0.0 111.186 -173.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.409 ' HB3' ' H ' ' A' ' 76' ' ' GLY . 99.0 mt-10 -60.2 -27.86 67.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 176.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.18 -5.49 87.3 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.3 mt -109.47 -27.38 9.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 111.176 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.415 ' HG3' ' HA ' ' A' ' 91' ' ' SER . 87.9 tttt -81.5 -46.09 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.206 175.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.63 28.16 5.49 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -174.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.8 t -87.37 -53.16 4.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 111.214 -174.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' A' ' 70' ' ' GLU . . . -116.18 -103.15 2.35 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.61 169.35 1.23 Allowed 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.715 1.61 . . . . 0.0 111.173 171.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.0 t -149.96 120.25 7.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.257 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.27 -169.51 23.0 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.87 -123.04 25.75 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 177.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.5 p -119.36 -56.48 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 0.0 111.195 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.57 -119.21 15.75 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.26 -144.87 33.85 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.44 -17.56 64.41 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.77 -24.15 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.788 0.328 . . . . 0.0 111.256 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -72.81 -7.76 52.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.218 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.82 -0.11 87.71 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 174.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.4 p -114.65 -43.73 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 111.21 175.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.8 t -99.64 133.79 43.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -125.63 4.14 7.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.225 -172.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.415 ' HA ' ' HG3' ' A' ' 73' ' ' LYS . 21.8 t -136.89 -150.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -176.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -81.53 147.78 29.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.254 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.55 ' OG1' ' NZ ' ' A' ' 60' ' ' LYS . 67.8 p -68.07 73.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -79.75 65.89 5.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 96' ' ' GLY . 99.7 m-70 -131.48 -51.84 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 175.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 95' ' ' HIS . . . -23.11 105.22 0.01 OUTLIER Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 161.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -81.2 113.03 38.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 111.168 -171.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -74.16 -18.3 21.12 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.68 1.587 . . . . 0.0 111.233 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -77.17 -50.8 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -173.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.43 -56.51 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.265 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 78.3 mtm -55.87 -55.72 29.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.472 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 41.4 t80 -63.82 -52.31 60.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.187 -174.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.98 -31.53 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -74.51 -44.29 51.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.243 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -72.21 -56.97 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -175.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -115.77 -30.21 6.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 -169.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.78 28.82 58.41 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 173.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.472 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . 69.85 36.9 74.8 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -135.74 154.36 51.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.77 0.319 . . . . 0.0 111.198 174.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 . . . . . 0 C--O 1.201 -1.498 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 -177.481 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.808 0.337 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.47 -147.62 31.49 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -132.39 62.99 1.63 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.805 0.336 . . . . 0.0 111.238 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.433 ' C ' ' OD1' ' A' ' 4' ' ' ASP . 27.9 p30 -78.65 -161.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.233 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.503 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 3.3 m-30 -61.09 -33.69 73.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 -165.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -67.64 -30.58 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.216 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -86.5 -8.76 57.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.7 p -92.39 -26.29 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.6 mt -85.25 -27.16 26.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 170.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.48 31.5 16.03 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.5 mt -116.97 162.62 17.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.766 0.317 . . . . 0.0 111.233 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.81 151.56 28.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.225 166.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -49.42 -28.99 5.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.216 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.05 23.36 30.95 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -169.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.38 170.11 9.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.727 0.299 . . . . 0.0 111.208 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.9 p -94.82 157.4 15.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.5 -35.09 75.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.81 -46.54 84.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -68.77 -33.3 73.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.437 HG21 ' HB3' ' A' ' 55' ' ' LEU . 72.3 mt -60.78 -39.49 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 172.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.81 -37.15 85.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 175.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.06 -50.7 63.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.5 75.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -63.3 -45.46 91.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -51.88 -58.87 5.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 172.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -58.41 -41.49 85.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -173.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -75.16 -37.27 61.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.194 -173.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.36 70.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.208 172.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.18 -32.87 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.197 169.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -64.5 -35.42 80.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -111.68 10.05 21.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -177.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -49.85 139.67 16.48 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.265 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -52.1 -36.66 66.86 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.704 1.603 . . . . 0.0 111.224 -175.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -88.07 11.48 15.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -126.21 -38.45 2.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -175.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -147.68 115.71 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 -175.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.65 32.74 5.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.235 175.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -81.11 131.79 58.39 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.22 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -53.43 120.12 7.28 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.617 1.545 . . . . 0.0 111.248 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.77 -31.72 8.41 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' ' 44' ' ' LYS . . . -64.06 -31.47 72.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 111.248 173.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.81 -41.01 81.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 170.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -71.75 -34.69 69.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 174.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 98.7 mttt -67.41 -26.3 66.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 173.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -71.16 -38.86 72.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 171.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.1 mttt -61.49 -38.79 88.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.239 171.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -57.98 -42.96 86.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 173.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.8 -42.73 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 172.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -48.07 -53.18 17.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 174.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 34.8 tt0 -69.08 -30.94 69.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.67 -25.53 68.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.593 ' O ' ' N ' ' A' ' 56' ' ' SER . 32.3 t80 -104.32 -24.97 13.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.198 176.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.413 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 36.5 t0 -51.4 -51.52 54.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 165.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.425 ' HA ' ' HB2' ' A' ' 60' ' ' LYS . 45.0 t -52.12 -46.41 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 168.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.437 ' HB3' HG21 ' A' ' 20' ' ' ILE . 70.9 mt -101.09 0.33 37.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 -162.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 52' ' ' TYR . 88.4 p -105.93 -33.51 7.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 168.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -104.22 114.33 64.42 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 173.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -54.71 -37.13 91.67 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.723 1.615 . . . . 0.0 111.233 -167.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -82.0 8.94 9.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 -161.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 54' ' ' VAL . 63.4 mttp -115.22 -5.57 12.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.242 172.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.422 ' HA ' HG13 ' A' ' 54' ' ' VAL . 78.8 ttt180 -89.66 -35.45 15.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 173.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.93 -12.06 22.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.175 168.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.4 mt -100.82 -57.38 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.17 170.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CD2' HG11 ' A' ' 54' ' ' VAL . 37.6 t80 -47.77 -59.47 3.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.177 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.09 -39.87 95.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -61.04 -55.68 29.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -112.7 -47.56 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 135.97 -154.04 21.71 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.8 pm0 -85.33 -16.78 38.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 111.207 -175.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -61.87 -26.56 68.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.59 -3.61 88.98 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.0 mt -112.13 -21.55 11.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.844 0.355 . . . . 0.0 111.259 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -85.06 -37.65 20.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 170.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.54 31.07 5.35 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -174.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.5 p -122.05 14.01 10.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 111.15 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.36 -156.69 7.19 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -68.13 85.03 0.43 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.648 1.565 . . . . 0.0 111.249 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.5 t -135.71 106.54 6.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 177.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -95.5 -165.15 34.71 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 174.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.88 -150.25 19.52 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 98.4 p -102.46 -34.05 9.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 111.209 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 41.72 -115.98 0.92 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.4 -111.18 3.95 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 176.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.11 -28.42 70.59 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.99 -52.97 23.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.219 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -67.92 -21.56 65.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.215 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.71 -19.45 71.25 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 82.5 p -101.34 -37.47 8.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.78 0.324 . . . . 0.0 111.169 -178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.6 t -72.1 148.6 45.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.19 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -154.17 21.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.208 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.9 t -162.4 -159.75 0.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -66.79 142.18 57.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.233 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 97.9 m -62.41 80.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.25 177.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -90.35 55.24 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.25 167.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -71.68 -50.28 31.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -166.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.78 167.34 29.53 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -166.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -86.27 114.57 58.12 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.835 0.35 . . . . 0.0 111.13 173.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.39 -16.8 21.69 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.74 1.626 . . . . 0.0 111.193 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -77.89 -38.64 45.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 -171.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.83 -54.55 45.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 78.8 mtm -54.82 -53.49 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.228 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.453 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 35.6 t80 -61.6 -52.39 64.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 -177.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.42 -37.55 70.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -68.89 -46.05 69.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -71.14 -58.92 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.237 -175.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -117.29 -23.09 7.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -165.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.16 38.19 87.73 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 169.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.453 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . 64.98 30.47 78.09 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -139.99 161.64 37.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.324 . . . . 0.0 111.245 175.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 -176.88 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.9 mmm . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.793 0.33 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.06 126.85 26.76 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -118.27 -52.26 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 0.0 111.227 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -59.19 116.86 4.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.195 -168.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.434 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 9.4 m-30 -56.42 -38.34 71.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -177.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -74.65 -35.01 62.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.221 -173.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -73.42 -16.36 61.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.199 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.5 p -96.34 -28.02 14.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 176.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.2 tp -78.47 -49.62 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.08 29.79 1.73 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.8 mt -128.91 170.48 13.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.156 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.24 158.72 26.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 166.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.1 ptt-85 -66.27 -13.43 60.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.201 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.51 21.23 24.14 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 171.37 5.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 111.21 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.9 p -102.71 160.96 14.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.183 -175.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -56.5 -40.45 74.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.42 -46.34 86.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -68.06 -34.49 76.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.235 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.487 HG21 ' HB3' ' A' ' 55' ' ' LEU . 78.5 mt -62.15 -39.58 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.234 175.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.19 -44.61 75.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -64.49 -56.07 16.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.225 177.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.69 -43.59 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.273 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -62.62 -42.36 99.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.24 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -56.22 -47.02 79.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.223 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -55.66 -46.29 77.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -75.74 -37.85 58.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.58 88.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 174.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.1 mt -66.72 -35.63 80.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.227 170.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -61.05 -40.63 94.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.239 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.452 ' HB3' ' HB2' ' A' ' 45' ' ' PHE . 72.2 m-85 -106.59 4.41 28.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 -175.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -47.87 139.1 9.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.178 174.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -51.85 -36.71 64.24 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.727 1.618 . . . . 0.0 111.205 -176.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -85.2 8.78 17.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.235 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -126.59 -36.24 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.218 -176.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.407 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 43.7 t-20 -149.24 113.42 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.205 -175.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -119.01 97.3 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.237 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -156.54 133.69 6.58 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.03 129.94 17.03 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.736 1.624 . . . . 0.0 111.2 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.59 -5.9 82.3 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -171.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.18 -34.58 6.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.783 0.325 . . . . 0.0 111.164 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -60.68 -26.33 67.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 160.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -73.56 -38.34 65.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 172.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.66 -40.03 82.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 168.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.452 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 1.7 t80 -59.55 -40.88 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.237 172.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.05 -38.66 92.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.19 176.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.5 -39.27 87.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 173.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.6 mm -67.45 -45.09 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.212 173.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.458 ' HB1' ' HD2' ' A' ' 98' ' ' PRO . . . -49.76 -50.82 43.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.186 171.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 53' ' ' ASP . 44.6 tp10 -61.1 -46.61 89.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.163 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.434 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -44.93 -62.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.224 170.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.518 ' O ' ' N ' ' A' ' 56' ' ' SER . 18.8 t80 -64.82 -39.9 94.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.223 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' A' ' 50' ' ' GLU . 32.6 t70 -39.31 -52.17 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.204 171.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.458 HG13 ' HA ' ' A' ' 61' ' ' ARG . 45.2 t -62.01 -45.07 99.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.207 172.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' HB3' HG21 ' A' ' 20' ' ' ILE . 68.1 mt -89.09 5.39 44.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -167.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 52' ' ' TYR . 88.4 p -124.5 -33.01 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 172.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -106.53 114.78 61.66 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -174.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -59.28 -20.97 58.1 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.662 1.575 . . . . 0.0 111.253 -174.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -73.33 -25.52 60.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.239 -171.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -107.11 -10.93 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.458 ' HA ' HG13 ' A' ' 54' ' ' VAL . 79.9 ttt180 -61.15 -58.76 7.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.227 173.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.15 -38.92 63.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.13 -66.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 -175.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -42.07 -57.15 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 172.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -54.84 -44.29 73.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 -177.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -81.38 -25.97 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -171.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -127.22 -56.31 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 -173.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.2 -147.1 17.21 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.6 mp0 -79.13 -46.23 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.149 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -71.1 -23.97 62.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.34 0.27 88.55 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 tp -111.59 -21.19 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.767 0.318 . . . . 0.0 111.176 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -89.45 -31.31 17.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 171.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.4 31.79 6.32 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -177.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.2 p -119.96 11.57 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 111.168 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -113.3 -102.88 2.57 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -52.7 -56.19 3.06 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.655 1.57 . . . . 0.0 111.208 -175.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.9 p -103.51 43.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.234 173.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -39.96 116.75 0.75 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.23 -31.02 4.82 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.0 p -75.82 -20.1 58.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 0.0 111.178 -177.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 54.98 53.43 40.13 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 -176.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 62.78 -112.31 4.83 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -166.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -101.91 10.6 57.23 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.34 -22.02 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.763 0.316 . . . . 0.0 111.164 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 65.97 -88.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.211 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.89 10.25 8.95 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -177.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.3 p -106.21 174.09 6.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 111.204 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.6 p -74.06 159.48 32.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.248 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -170.11 108.04 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.6 p -94.33 176.55 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.257 171.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -52.71 149.67 5.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.257 170.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 93' ' ' THR . 86.5 m -71.8 69.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.25 -177.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -78.03 -21.95 49.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -57.93 -59.94 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 174.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.15 88.65 0.01 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 165.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -118.76 112.21 37.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 111.174 -172.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.458 ' HD2' ' HB1' ' A' ' 49' ' ' ALA . 86.9 Cg_endo -75.62 48.15 2.08 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.632 1.554 . . . . 0.0 111.206 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -92.3 -23.74 19.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 167.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.71 -49.5 58.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 170.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 74.3 mtm -61.54 -35.3 77.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 174.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.94 -48.89 79.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 172.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.12 -32.5 62.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.16 -42.87 45.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 176.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -70.42 -56.92 5.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.275 -175.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -117.33 -29.56 5.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.265 -170.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.37 27.29 61.86 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 67.8 35.41 85.11 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -137.25 157.72 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.367 . . . . 0.0 111.173 174.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 . . . . . 0 C--O 1.2 -1.521 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.232 -176.464 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.802 0.334 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -110.22 142.77 16.67 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 177.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -92.45 65.31 4.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.798 0.333 . . . . 0.0 111.217 -174.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -76.62 99.22 4.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.213 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.511 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 8.5 m-30 -53.09 -40.93 64.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 -174.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.401 ' CD1' ' HG2' ' A' ' 13' ' ' ARG . 46.8 m-85 -71.53 -27.95 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.239 -176.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -69.86 -26.54 64.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.218 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.8 p -89.59 -25.84 21.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.254 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.456 ' HA ' ' HG3' ' A' ' 27' ' ' GLN . 80.4 mt -78.4 -35.06 47.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.227 170.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.47 47.11 3.85 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.426 HD23 ' H ' ' A' ' 11' ' ' LEU . 1.3 pt? -148.81 175.84 10.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 111.183 175.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.72 143.32 42.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HG2' ' CD1' ' A' ' 6' ' ' TYR . 99.6 mtt180 -56.15 -24.69 42.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.255 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.96 22.66 31.13 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -175.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.09 174.45 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 111.15 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.1 p -98.57 163.89 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -52.69 -43.32 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -62.86 -47.67 82.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -62.94 -35.51 80.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.0 mt -62.35 -43.4 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 174.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.49 -42.95 98.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.18 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -64.96 -52.57 55.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.22 177.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.52 -43.29 71.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.252 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.511 ' OH ' ' O ' ' A' ' 98' ' ' PRO . 51.1 t80 -64.39 -46.14 84.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.205 -179.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -53.98 -48.89 69.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 177.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -51.65 -44.44 63.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.166 176.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.456 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 54.3 mm-40 -71.07 -46.55 61.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 -174.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.0 74.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.54 -37.0 84.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 170.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.79 -41.09 96.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.25 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.406 ' HA ' ' HB3' ' A' ' 36' ' ' ASN . 93.6 m-85 -104.37 9.08 35.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.256 -174.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -50.65 139.75 20.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 166.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.41 -36.44 69.4 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.603 1.535 . . . . 0.0 111.244 -175.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -88.65 9.09 25.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -126.09 -30.8 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.215 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 23.1 t-20 -148.18 125.39 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 176.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -126.77 85.36 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -138.94 140.73 27.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -177.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.15 130.44 16.48 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.648 1.565 . . . . 0.0 111.197 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.8 -41.59 2.62 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -176.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.9 -37.74 77.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.707 0.289 . . . . 0.0 111.178 171.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -53.99 -35.17 61.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.229 170.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -82.14 -33.93 29.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.5 -35.0 77.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.184 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.74 -43.01 90.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.2 173.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -58.1 -38.44 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.215 173.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -64.98 -45.24 86.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 174.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.454 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 83.1 mt -64.47 -23.36 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 174.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 98' ' ' PRO . . . -75.73 -31.39 59.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.204 174.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -66.88 -36.24 81.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.184 171.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -49.53 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.224 170.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.558 ' O ' ' N ' ' A' ' 56' ' ' SER . 11.9 t80 -62.1 -39.26 91.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.251 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -41.48 -53.23 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 170.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.496 HG13 ' HA ' ' A' ' 61' ' ' ARG . 50.3 t -59.33 -45.04 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 173.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.2 mt -90.92 -8.07 50.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -164.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 52' ' ' TYR . 98.0 p -109.29 -31.69 7.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 174.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 45.5 t0 -110.57 116.51 52.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.19 -173.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 85.6 Cg_exo -59.24 -18.77 46.62 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.665 1.577 . . . . 0.0 111.216 -174.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -76.82 -26.09 54.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -171.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -107.96 -11.06 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.246 171.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.496 ' HA ' HG13 ' A' ' 54' ' ' VAL . 39.9 ttm180 -60.78 -55.97 26.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.198 172.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -52.72 -43.58 65.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.88 -69.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -172.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -41.7 -57.84 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 173.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -55.21 -43.51 74.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -68.63 -55.86 10.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.202 -173.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -111.43 -45.54 3.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.268 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.24 -152.2 19.67 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -77.85 -35.91 50.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 -173.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.61 -29.94 70.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.258 -175.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.53 -7.93 87.61 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.4 tp -104.37 -30.14 10.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -85.12 -35.0 22.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 174.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.88 37.04 5.07 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -176.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.9 p -125.34 20.91 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.763 0.316 . . . . 0.0 111.154 -173.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.56 -150.6 3.48 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -54.95 -34.42 86.36 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.654 1.57 . . . . 0.0 111.216 -176.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 85.7 p -105.01 43.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.203 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.34 124.14 13.52 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.91 -36.34 3.88 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.507 ' O ' ' C ' ' A' ' 82' ' ' GLY . 90.7 p -65.9 -29.64 70.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.794 0.331 . . . . 0.0 111.199 176.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.507 ' C ' ' O ' ' A' ' 81' ' ' SER . . . 28.96 70.82 0.06 OUTLIER Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.65 -85.07 0.11 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -130.06 18.87 5.26 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.46 -28.45 65.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 0.0 111.185 177.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 68.74 -84.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 172.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.86 11.27 8.83 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.0 m -96.83 134.56 39.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 111.224 -175.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.1 p -73.94 154.88 39.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -168.11 119.76 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 -172.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.3 p -87.05 175.6 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.243 171.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -47.32 144.01 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.186 172.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.716 ' O ' HG23 ' A' ' 93' ' ' THR . 12.7 t -74.47 69.23 1.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.197 -177.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -68.87 -12.53 61.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.201 -173.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -54.3 -54.78 35.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 166.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.86 87.51 0.01 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 165.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -129.17 102.06 19.04 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.709 0.29 . . . . 0.0 111.214 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.511 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 83.4 Cg_endo -76.34 48.65 2.39 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.714 1.609 . . . . 0.0 111.159 178.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -90.88 -17.63 26.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 164.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.67 -39.81 26.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 169.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 89.9 mtp -59.62 -45.91 90.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.199 167.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -56.67 -49.94 73.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.252 174.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.22 -34.46 60.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -75.45 -41.7 55.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -73.19 -57.85 3.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.241 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -114.43 -29.31 6.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.205 -170.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 72.64 30.74 63.65 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 66.78 37.32 92.25 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -137.61 175.08 9.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 111.179 173.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 176.907 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.2 mtp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.834 0.35 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.84 154.98 16.59 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -91.3 68.89 5.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -85.93 101.75 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.213 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.46 ' CG ' ' HA ' ' A' ' 51' ' ' ALA . 6.9 m-30 -53.84 -39.47 65.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.227 -172.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -76.11 -30.49 58.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -174.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -72.76 -29.59 63.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 170.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.7 m -75.28 -37.24 61.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.1 mt -78.26 -30.78 48.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.223 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.15 50.33 2.45 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 11' ' ' LEU . 2.2 pt? -157.06 179.47 9.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 175.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.96 148.9 36.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -176.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.93 -18.85 65.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.8 20.78 31.08 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -176.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.13 -176.11 2.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.77 0.319 . . . . 0.0 111.173 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.1 p -104.93 165.58 10.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -61.68 -32.43 72.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.92 -46.79 76.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 176.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -68.03 -31.77 71.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.437 HG21 ' HG ' ' A' ' 55' ' ' LEU . 79.3 mt -65.02 -40.44 89.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 173.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.75 -45.48 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -63.1 -49.14 75.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.208 174.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.13 -44.26 15.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 176.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -74.66 -49.51 21.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -36.14 -53.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 170.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -59.88 -57.1 14.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.181 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -66.51 -38.04 86.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.184 -168.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.22 91.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.267 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.6 -37.85 88.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 172.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -62.75 -42.26 99.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -106.15 7.17 31.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.287 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -48.8 139.34 11.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 169.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -52.47 -36.62 70.75 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.677 1.585 . . . . 0.0 111.223 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -87.25 9.21 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.45 -29.59 2.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.215 -176.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -148.04 122.29 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.0 88.13 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -150.61 132.5 7.88 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -69.54 134.06 27.52 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.713 1.608 . . . . 0.0 111.171 177.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.07 -44.93 1.84 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -174.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.36 -35.79 80.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 111.179 162.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -51.68 -36.66 47.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.267 166.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -82.2 -30.9 30.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -66.35 -30.73 71.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 172.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -73.87 -35.38 64.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.216 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 97.7 mttt -62.08 -36.74 82.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.209 168.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.45 -43.33 99.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.198 173.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.52 -46.97 95.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 173.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -41.06 -76.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.229 172.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -45.48 -34.88 3.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.46 ' HA ' ' CG ' ' A' ' 5' ' ' TYR . . . -68.01 -27.98 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.247 -175.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.532 ' O ' ' C ' ' A' ' 53' ' ' ASP . 61.1 t80 -105.0 -46.34 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.204 174.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.532 ' C ' ' O ' ' A' ' 52' ' ' TYR . 37.5 t70 -23.68 -55.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 175.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.468 HG23 HD22 ' A' ' 55' ' ' LEU . 8.7 m -78.1 -25.92 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.226 -171.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.8 mm? -73.94 -31.95 63.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 171.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.418 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 81.3 p -83.96 -15.65 47.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 174.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -121.87 101.76 41.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -65.03 -8.59 18.72 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.72 1.614 . . . . 0.0 111.154 -169.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -76.34 -40.96 49.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.211 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 63' ' ' ILE . 96.1 mttt -85.74 -39.57 17.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.22 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -26.57 -47.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.212 159.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 66' ' ' ARG . 71.6 mm-40 -68.05 -27.15 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.268 -175.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 60' ' ' LYS . 96.8 mt -82.18 -67.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 168.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -49.44 -70.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.249 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.21 -42.73 99.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.225 -168.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 60.7 ttm-85 -64.14 -55.98 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -106.44 -57.2 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -170.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 147.84 -169.07 28.68 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -79.68 -32.39 41.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 111.201 -172.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.39 -26.72 68.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.47 -7.5 87.46 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.0 tp -102.6 -27.54 12.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 111.192 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -89.01 -34.83 16.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.211 172.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.58 39.78 6.58 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -171.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.447 ' HA ' ' HA2' ' A' ' 79' ' ' GLY . 82.8 p -118.2 12.3 13.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 111.204 -176.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -94.01 -125.91 4.33 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -172.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -54.46 -38.95 89.75 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.727 1.618 . . . . 0.0 111.234 -174.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.5 p -108.74 39.05 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.259 174.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 75' ' ' SER . . . -50.98 133.48 32.37 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -177.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.57 -27.22 8.52 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.2 p -74.86 -27.68 60.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.74 0.305 . . . . 0.0 111.22 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 54.18 57.23 17.62 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 173.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.48 -107.26 1.64 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -168.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.21 10.43 39.77 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 86' ' ' ASN . . . -66.03 -28.89 69.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 111.267 -178.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 96.1 m-20 67.96 -85.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.185 175.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -121.51 12.5 9.53 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.7 m -99.63 143.31 30.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 111.16 -173.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.4 t -59.14 141.39 54.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 173.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -158.79 122.36 3.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -163.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.6 p -108.15 168.36 9.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -47.55 140.72 5.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.178 169.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 93' ' ' THR . 53.1 m -62.42 77.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.246 172.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -75.13 -13.79 60.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.194 172.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -49.3 -51.85 31.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.227 173.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.05 87.5 0.01 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 161.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -109.9 111.25 58.73 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 111.2 -173.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -84.49 20.95 1.14 Allowed 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.692 1.595 . . . . 0.0 111.172 -177.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -88.63 -34.25 17.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 174.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.79 -50.94 72.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.254 166.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 76.7 mtm -60.82 -38.4 85.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.73 -47.79 84.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.52 -33.74 64.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -75.26 -42.61 54.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.18 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -69.8 -56.02 8.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 -177.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -118.39 -31.43 4.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.181 -169.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 79.81 29.24 48.23 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.59 27.19 71.57 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -124.07 162.69 22.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 111.187 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 . . . . . 0 C--O 1.201 -1.476 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 178.352 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.2 t0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.801 0.334 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -53.11 -40.76 64.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.424 ' CG ' ' HA ' ' A' ' 13' ' ' ARG . 95.1 m-85 -69.72 -32.61 71.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.149 -175.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -76.79 -23.51 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.7 p -85.09 -24.77 27.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 174.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.1 mt -75.98 -34.01 59.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 167.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.51 47.39 3.76 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.471 HD12 ' C ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -158.56 178.53 10.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 111.215 178.68 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.71 148.7 36.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -173.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.424 ' HA ' ' CG ' ' A' ' 6' ' ' TYR . 99.5 mtt180 -62.34 -16.13 52.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.221 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.04 20.96 32.49 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.22 174.7 6.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 111.2 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.7 p -99.17 162.66 12.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 -177.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -54.12 -41.31 68.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -63.16 -46.59 86.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -63.77 -36.24 83.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.182 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.91 -38.95 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.04 -46.42 71.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -65.51 -51.18 61.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.233 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.01 -42.25 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.222 174.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -64.17 -41.13 97.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.242 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -55.87 -49.97 71.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.253 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -52.43 -45.4 65.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -73.97 -42.67 60.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 -174.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.1 -35.0 79.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 176.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.87 -38.71 89.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 170.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -60.57 -39.72 89.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.266 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.418 ' HA ' ' HB3' ' A' ' 36' ' ' ASN . 97.7 m-85 -108.6 7.65 26.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.258 -175.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -48.98 139.25 12.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.187 169.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -52.49 -36.33 69.8 Favored 'Trans proline' 0 C--N 1.328 -0.533 0 C-N-CA 121.714 1.609 . . . . 0.0 111.131 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -87.88 8.47 25.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -124.82 -35.05 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.418 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 41.4 t-20 -147.37 120.13 8.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -123.82 88.38 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.274 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -148.67 131.68 8.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.167 -177.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.08 132.39 24.32 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.675 1.583 . . . . 0.0 111.204 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.15 -47.74 1.34 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -174.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.03 -38.26 88.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 0.0 111.22 167.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -54.6 -34.68 62.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 170.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -79.5 -36.96 37.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.35 -40.32 81.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 170.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.52 -40.92 96.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.237 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.81 -42.83 94.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 173.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.17 -37.33 87.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.231 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.5 mt -70.55 -45.42 74.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.35 -39.54 67.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 171.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -66.22 -46.49 77.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.223 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.24 -56.74 5.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 173.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.494 ' O ' ' C ' ' A' ' 53' ' ' ASP . 76.6 t80 -66.54 -46.76 75.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 52' ' ' TYR . 35.9 t70 -27.52 -56.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 176.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.435 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 1.5 m -74.18 -33.54 35.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -174.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.488 ' HA ' HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -66.06 -29.2 69.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.211 176.656 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 94.9 p -90.86 -23.08 20.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -117.53 109.06 42.33 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.241 -173.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -59.79 -18.04 46.59 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.707 1.604 . . . . 0.0 111.248 -172.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -74.02 -32.43 63.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 -171.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -104.15 -6.61 20.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 172.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 56.6 ttt180 -67.52 -51.88 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.168 178.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -52.08 -38.52 57.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.226 174.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.54 -62.39 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.189 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -42.58 -57.61 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 169.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -56.91 -42.88 80.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -66.76 -55.68 13.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.229 -173.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -111.76 -44.73 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.264 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.84 -150.81 19.14 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.6 mp0 -79.04 -36.32 41.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 111.238 -173.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.8 -29.46 69.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.175 -175.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.17 -3.62 88.47 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 tp -110.49 -27.92 8.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.754 0.312 . . . . 0.0 111.231 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -80.17 -37.85 32.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.624 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 178.724 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.763 0.316 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -46.37 142.46 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.256 170.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.699 ' O ' HG23 ' A' ' 93' ' ' THR . 10.3 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.228 -175.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 79.0 t60 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.813 0.34 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.86 -43.09 63.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.224 166.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 67.6 mtt -57.6 -50.24 73.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 169.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.439 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 51.1 t80 -58.78 -50.46 73.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.24 -35.85 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -74.84 -44.38 49.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.22 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.28 -55.63 8.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 -174.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -116.66 -30.05 5.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.188 -170.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.82 27.95 59.81 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.439 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.3 t0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.759 0.314 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.525 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 3.9 m-30 -54.71 -39.41 68.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -173.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -70.74 -32.45 69.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.193 -176.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -81.43 -16.05 53.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.7 p -89.39 -26.88 20.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.491 ' HA ' ' HG3' ' A' ' 27' ' ' GLN . 83.6 mt -82.3 -31.57 29.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.27 171.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.29 45.94 5.15 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 175.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.436 HD23 ' H ' ' A' ' 11' ' ' LEU . 1.9 pt? -146.45 174.11 11.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.791 0.329 . . . . 0.0 111.23 174.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.62 144.76 37.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.5 ptt-85 -63.49 -14.96 56.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.263 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.86 19.68 30.17 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.18 177.85 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 111.2 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.7 p -100.55 164.62 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -53.55 -40.67 65.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.185 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -66.88 -43.68 82.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.227 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -65.72 -36.27 83.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.448 HG21 ' HB3' ' A' ' 55' ' ' LEU . 81.1 mt -61.52 -41.75 91.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 174.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -67.88 -40.85 83.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -66.1 -48.01 72.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.0 -44.87 71.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.239 173.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -61.88 -45.66 92.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.25 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -54.18 -50.6 66.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.241 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -53.38 -45.17 69.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.491 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 5.8 mm100 -75.89 -41.43 52.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -172.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.01 -32.66 74.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.71 -37.85 85.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.232 168.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -61.99 -41.01 97.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -105.56 11.24 32.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 -175.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.4 t-80 -52.52 139.15 39.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.223 167.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -52.42 -36.02 67.8 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.66 1.573 . . . . 0.0 111.204 -175.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -90.18 9.26 29.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 -176.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -123.96 -36.12 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -149.9 110.21 4.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -123.08 36.84 4.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -85.47 150.98 55.36 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.194 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.53 124.09 15.43 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.721 1.614 . . . . 0.0 111.247 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.16 -23.63 35.58 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.47 77.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.841 0.353 . . . . 0.0 111.217 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.77 -42.98 68.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.264 172.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -74.39 -34.02 63.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.214 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.71 -32.42 73.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 174.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.15 -37.82 81.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.149 172.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.2 mttt -62.57 -38.22 89.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 172.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -57.87 -39.54 78.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.279 173.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.4 mm -65.98 -41.79 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 174.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -45.62 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 173.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.404 ' HA ' ' HB2' ' A' ' 53' ' ' ASP . 15.4 pt-20 -42.63 -34.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 177.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.525 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -68.84 -32.06 71.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -177.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 56' ' ' SER . 31.4 t80 -99.44 -40.4 7.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.172 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.404 ' HB2' ' HA ' ' A' ' 50' ' ' GLU . 92.1 m-20 -31.21 -54.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 164.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.515 HG13 ' HA ' ' A' ' 61' ' ' ARG . 43.9 t -60.09 -42.95 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.448 ' HB3' HG21 ' A' ' 20' ' ' ILE . 67.9 mt -94.73 -1.76 52.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.253 -167.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 52' ' ' TYR . 79.4 p -109.22 -28.52 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 173.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -123.67 117.36 27.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.217 -172.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -57.47 -18.82 33.43 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.62 1.547 . . . . 0.0 111.207 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -66.16 -36.4 83.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.19 -175.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -103.99 -9.24 19.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.515 ' HA ' HG13 ' A' ' 54' ' ' VAL . 80.3 ttt180 -57.51 -62.34 1.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.264 172.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -51.98 -38.26 56.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.251 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.4 -68.73 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.274 -174.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' GLY . 63.8 t80 -42.9 -58.21 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 170.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -50.56 -42.95 56.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -71.58 -56.37 6.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 -175.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -106.39 -44.24 4.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 -174.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . 117.51 -142.44 17.27 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -75.0 -45.45 41.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 111.235 -174.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.8 mp0 -60.17 -27.21 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.71 -4.68 88.79 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.5 tp -114.32 -23.34 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.176 176.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -71.5 -57.27 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 169.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.495 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -175.685 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 92' ' ' TYR . 38.8 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.802 0.334 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.461 ' N ' ' OG ' ' A' ' 91' ' ' SER . 67.3 m-85 -95.45 150.54 20.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.224 -173.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 99.1 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 173.072 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 71.4 t60 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.744 0.307 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.63 72.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 77.9 mtm -56.68 -46.9 80.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.464 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 30.9 t80 -64.29 -51.28 64.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.233 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.79 -34.42 67.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.223 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -72.3 -46.89 53.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.28 -53.32 17.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 -174.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -118.35 -32.04 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.214 -169.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 78.1 24.98 62.74 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.464 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . . . . . . 0 CA--C 1.523 0.549 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.5 t0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.822 0.344 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.437 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 8.8 m-30 -65.61 -25.48 67.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.216 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -79.33 -30.14 42.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -80.43 -15.04 57.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 170.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.7 m -79.07 -32.97 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 171.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 mp -97.06 -12.69 22.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.53 32.01 58.12 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.3 mt -112.3 166.26 11.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 111.258 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.87 154.35 28.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.22 164.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -50.43 -31.69 15.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.82 28.99 13.06 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 -169.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.89 113.29 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.753 0.311 . . . . 0.0 111.194 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.2 p -48.9 162.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -62.08 -26.63 68.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.219 -170.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -69.15 -43.04 75.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -70.23 -33.67 71.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.8 mt -61.29 -42.56 94.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.234 173.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.25 -39.99 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.293 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -65.09 -55.4 19.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.48 -43.45 55.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 173.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -61.47 -44.48 97.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.239 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.517 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 36.1 ttm180 -55.64 -48.07 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 176.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.83 -40.25 94.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -176.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.572 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 5.0 mm-40 -74.54 -39.89 62.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.237 -177.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.24 80.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.0 mt -73.65 -31.98 63.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 172.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -61.89 -37.41 84.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.189 175.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -106.14 13.28 29.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -53.14 136.02 49.24 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.208 168.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -52.51 -35.16 65.4 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.683 1.589 . . . . 0.0 111.172 -176.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -93.99 10.79 32.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -121.89 -39.8 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -146.31 120.41 9.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -131.21 83.95 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 169.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -123.95 152.98 67.4 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -173.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -56.04 117.7 4.38 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.705 1.603 . . . . 0.0 111.184 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.86 -21.59 45.19 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.84 -35.88 81.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 111.201 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.23 -44.77 68.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 171.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -74.31 -33.9 63.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.15 -28.56 68.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.207 175.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.91 -35.06 59.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.262 174.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 97.5 mttt -62.84 -39.45 94.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 170.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.72 -36.29 69.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.5 mm -71.21 -43.13 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.193 171.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -47.35 -57.95 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.264 175.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -70.34 -34.92 73.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -176.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -51.41 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.254 172.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.607 ' O ' ' N ' ' A' ' 56' ' ' SER . 21.6 t80 -63.17 -39.93 96.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -41.93 -51.27 4.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.527 HG13 ' HA ' ' A' ' 61' ' ' ARG . 43.3 t -61.6 -46.01 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.203 171.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 51' ' ' ALA . 66.6 mt -90.02 7.55 37.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 -168.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 52' ' ' TYR . 95.8 p -124.01 -34.92 2.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 171.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -107.74 115.91 58.27 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.184 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -60.88 -15.37 37.9 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.699 1.599 . . . . 0.0 111.206 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -77.52 -23.41 50.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -172.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -107.21 -10.91 15.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.234 171.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.527 ' HA ' HG13 ' A' ' 54' ' ' VAL . 42.7 ttp85 -58.36 -60.99 2.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 172.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -52.26 -40.61 61.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.227 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.49 -69.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 -173.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -42.51 -56.63 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 174.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -54.72 -44.2 73.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.182 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 -68.6 -53.45 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.211 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -120.34 -44.86 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.241 -177.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.69 -128.51 7.84 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -175.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -83.62 -7.94 59.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.313 . . . . 0.0 111.181 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.56 -31.17 72.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.177 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -114.34 -21.18 5.62 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.7 tp -79.86 -38.88 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 111.184 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -91.36 -33.35 15.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.24 166.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.566 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -171.125 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.6 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.744 0.306 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -97.59 160.03 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 93' ' ' THR . 92.8 m . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 173.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 21.6 m170 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.83 0.348 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.01 -48.32 53.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 -178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 77.6 mtm -54.12 -40.27 67.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.259 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.517 ' CE1' ' HA ' ' A' ' 25' ' ' ARG . 13.2 t80 -75.52 -43.73 47.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.181 -178.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.48 -34.04 60.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.197 175.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -74.87 -39.89 61.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 175.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -72.8 -59.35 2.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.401 ' HB3' ' CE1' ' A' ' 102' ' ' PHE . 82.1 t80 -115.56 -35.06 4.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 -170.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.97 36.91 9.65 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -174.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.436 ' HA3' ' CE2' ' A' ' 102' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 170.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.5 t0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.821 0.344 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.516 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 4.7 m-30 -59.11 -35.73 73.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.244 -177.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -76.39 -31.83 58.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.287 -173.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -80.77 -18.78 46.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 172.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.3 m -75.79 -39.55 56.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.252 171.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.44 ' HA ' ' HG3' ' A' ' 27' ' ' GLN . 76.9 mt -84.37 -27.3 27.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 -178.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.9 46.47 6.26 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.444 HD23 ' H ' ' A' ' 11' ' ' LEU . 1.3 pt? -144.77 172.67 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 111.213 173.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.21 148.64 37.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 ptt-85 -63.92 -18.02 63.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.19 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.74 22.44 33.84 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.17 115.61 13.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 111.14 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.0 p -48.81 163.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 171.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.431 ' HA ' HD12 ' A' ' 20' ' ' ILE . 99.9 m-20 -65.46 -26.2 67.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -167.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.88 -36.54 72.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 82.4 mm-40 -73.9 -28.22 61.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 173.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 17' ' ' ASP . 90.3 mt -68.63 -46.89 79.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 173.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -48.8 -50.94 31.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.178 171.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -62.68 -58.52 7.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.72 -46.54 29.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -65.82 -44.81 84.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -54.83 -49.78 70.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -52.43 -46.29 66.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.259 175.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.452 ' HB3' HD13 ' A' ' 48' ' ' ILE . 54.7 mm-40 -70.79 -45.5 64.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 -174.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.52 -34.31 77.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.63 -41.48 98.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 170.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -63.62 -41.51 98.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.222 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.455 ' HA ' ' HB3' ' A' ' 36' ' ' ASN . 67.4 m-85 -103.92 7.54 36.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -174.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -49.2 139.37 13.45 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 167.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -52.17 -36.47 66.83 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.745 1.63 . . . . 0.0 111.202 -175.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -87.91 8.81 24.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.242 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.11 -29.21 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.455 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 62.2 t-20 -154.08 109.68 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 177.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -120.12 89.98 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -149.09 130.19 7.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.198 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -54.97 129.28 34.44 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.651 1.567 . . . . 0.0 111.221 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.62 -47.4 1.32 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.24 84.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 111.177 166.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -54.83 -34.92 63.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 169.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -79.17 -35.87 41.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.226 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -58.99 -35.69 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 171.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.7 -38.14 83.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 175.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.72 -40.19 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 171.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.49 -37.37 85.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 174.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.452 HD13 ' HB3' ' A' ' 27' ' ' GLN . 80.4 mt -66.47 -46.09 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.208 172.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.21 -41.22 60.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.193 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -69.95 -41.23 74.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 174.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.516 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -56.33 -26.31 52.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 56' ' ' SER . 13.5 t80 -98.64 -40.74 8.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -30.99 -54.63 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 166.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' A' ' 61' ' ' ARG . 37.6 t -62.57 -44.62 99.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 177.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.431 ' HB3' HG21 ' A' ' 20' ' ' ILE . 74.9 mt -89.17 -2.92 58.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -168.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 52' ' ' TYR . 88.0 p -113.3 -21.99 10.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 175.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 54.1 t0 -120.47 115.19 32.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.236 -173.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HA ' ' HB3' ' A' ' 61' ' ' ARG . 86.3 Cg_exo -59.0 -18.74 44.63 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.66 1.573 . . . . 0.0 111.177 -174.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -77.17 -25.19 51.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 -172.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -108.9 -10.47 15.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.204 172.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.441 ' HA ' HG13 ' A' ' 54' ' ' VAL . 15.9 tpt180 -67.96 -50.09 57.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 174.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -55.93 -39.89 72.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.271 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.3 mt -71.41 -69.72 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -175.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -39.22 -55.88 1.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -59.7 -44.5 93.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.232 -173.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -83.09 -23.73 32.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.206 -173.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -125.5 -65.84 0.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.201 -175.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.12 -151.56 20.3 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -74.49 -42.73 58.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 111.21 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.79 -34.28 75.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.245 -173.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.1 -10.74 80.02 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.0 tp -98.53 -33.85 10.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 111.24 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -79.34 -39.39 32.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 174.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.636 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 -172.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.7 p . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.758 0.313 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -44.92 144.6 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 172.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.73 ' O ' HG23 ' A' ' 93' ' ' THR . 11.7 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 -170.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.4 t60 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.716 0.293 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.88 -41.85 25.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 169.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -59.39 -40.68 87.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 168.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -62.96 -47.21 84.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 175.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.53 -33.93 60.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -76.17 -42.88 45.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 176.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.99 -55.2 8.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.232 -174.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -118.49 -33.73 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.237 -172.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 74.22 19.88 79.74 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.535 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -172.346 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 53.1 t0 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.435 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 5.6 m-30 -61.98 -27.69 69.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -172.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -75.62 -32.21 60.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -71.21 -24.2 62.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.5 p -94.27 -27.54 16.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -177.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.6 tp -82.58 -39.09 22.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.176 173.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.58 32.04 4.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 173.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.4 mt -130.57 174.15 10.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.27 160.53 21.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 166.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -66.23 -14.2 61.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.2 20.99 13.59 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -174.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.89 172.78 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 111.183 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.5 p -100.12 160.48 14.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 -174.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -53.45 -43.23 67.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.42 -47.61 83.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.28 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -61.03 -40.21 92.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.03 -43.23 92.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.194 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.41 -47.42 79.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -64.19 -52.97 56.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.98 -47.21 52.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.221 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ARG . 78.6 t80 -64.78 -59.34 4.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 -177.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' TYR . 15.0 ttm180 -26.47 -62.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.212 166.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -56.39 -42.88 78.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -75.75 -43.85 44.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 -174.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.25 -34.66 76.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.195 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.9 mt -64.57 -38.93 92.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 169.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -61.35 -40.48 94.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -105.28 8.66 33.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.223 -176.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -51.18 139.84 23.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 169.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -52.13 -36.86 67.94 Favored 'Trans proline' 0 N--CA 1.458 -0.618 0 C-N-CA 121.73 1.62 . . . . 0.0 111.231 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -87.44 7.62 28.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -176.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -124.32 -33.83 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -175.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -146.84 126.23 13.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.22 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -129.05 85.11 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -139.24 140.62 26.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -72.69 127.15 12.07 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.716 1.611 . . . . 0.0 111.205 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.42 -39.93 2.7 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.29 87.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.254 167.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -54.52 -36.82 64.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 169.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -77.28 -37.54 52.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.232 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -56.64 -39.75 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.203 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.28 -37.99 89.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.6 mttt -65.21 -40.24 93.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 173.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -60.86 -31.63 71.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 173.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.5 mt -77.3 -38.98 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 173.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -50.06 -41.42 47.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.222 168.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -70.27 -40.34 74.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.185 172.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.87 -32.49 67.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.556 ' O ' ' N ' ' A' ' 56' ' ' SER . 44.5 t80 -97.1 -45.63 6.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.216 -175.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -35.18 -44.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 163.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 61' ' ' ARG . 41.3 t -65.1 -63.21 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 170.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.525 ' HA ' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -72.36 -7.33 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.244 -167.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 52' ' ' TYR . 96.5 p -100.24 -16.12 17.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.218 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -134.15 116.24 13.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -171.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -59.64 -14.92 28.53 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.742 1.628 . . . . 0.0 111.121 -173.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -76.41 -29.01 56.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.258 -170.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -112.16 -6.43 14.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.21 172.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.491 ' HA ' HG13 ' A' ' 54' ' ' VAL . 42.0 ttm180 -59.94 -55.99 27.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.218 173.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -54.35 -41.64 69.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.18 -72.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.221 -170.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CE2' ' HB2' ' A' ' 5' ' ' TYR . 19.5 t80 -41.95 -53.62 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.216 176.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.67 -50.86 39.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -170.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -85.78 -32.99 21.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 -169.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -119.53 5.22 11.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 -168.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.47 170.32 46.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.9 pm0 -83.41 -20.97 33.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 111.175 178.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.12 -28.49 69.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.85 -9.28 85.64 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.5 tp -97.36 -30.6 12.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 111.206 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -86.99 -35.14 18.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.609 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -169.66 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.2 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.768 0.318 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -55.31 153.99 6.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 170.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 93' ' ' THR . 63.5 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.4 t60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.78 0.324 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.18 -40.36 24.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.263 169.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 88.0 mtp -59.63 -45.01 93.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 167.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -57.85 -50.47 73.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 174.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.96 -34.49 63.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -74.35 -43.81 55.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -70.66 -57.42 4.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 -174.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -118.52 -29.17 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -168.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 74.17 28.19 64.7 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.512 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.151 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 p30 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.764 0.316 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.442 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 5.9 m-30 -66.62 -25.42 66.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.185 -168.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -77.5 -35.18 53.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.216 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -85.97 -17.88 34.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 174.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.9 m -79.51 -34.82 40.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 171.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.3 tp -77.6 -44.93 26.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 176.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.97 41.79 1.38 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.0 mt -136.67 177.84 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.339 . . . . 0.0 111.225 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.8 154.66 27.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 166.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.3 ptt-85 -63.95 -13.32 45.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.267 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.5 19.79 21.46 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.05 171.47 4.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.221 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.2 p -99.39 160.95 13.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.209 -174.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -55.03 -41.74 71.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.78 -48.25 79.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -60.61 -38.53 85.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.403 HG21 ' HB3' ' A' ' 55' ' ' LEU . 81.8 mt -62.62 -42.2 95.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.225 178.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.68 -45.27 87.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -63.12 -51.54 66.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.07 -42.87 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.172 174.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -61.01 -43.51 98.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.238 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -54.74 -47.93 73.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 174.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -55.42 -45.67 76.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -76.6 -40.53 49.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 -171.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 175.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.28 -36.22 79.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.181 169.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -60.03 -41.76 92.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -106.27 5.68 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.256 -175.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 -49.68 138.35 17.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 174.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -52.1 -36.96 67.91 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.679 1.586 . . . . 0.0 111.158 -176.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -89.86 10.61 23.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.221 -176.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -124.44 -38.57 2.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -147.79 116.37 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -174.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -121.45 90.76 3.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.24 177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -146.15 125.07 6.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -55.52 128.73 31.63 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.736 1.624 . . . . 0.0 111.205 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.15 -44.68 1.58 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -177.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.35 80.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.186 167.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -54.91 -37.01 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.242 168.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -76.49 -37.04 57.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.268 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -56.24 -39.46 72.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 170.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.408 ' O ' ' HB ' ' A' ' 48' ' ' ILE . 1.4 t80 -61.53 -38.63 88.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 173.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.2 mttt -65.57 -37.58 87.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.272 173.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.34 -38.79 84.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.261 171.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.408 ' HB ' ' O ' ' A' ' 45' ' ' PHE . 28.3 mm -61.31 -42.66 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 174.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -49.06 -65.76 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 171.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -38.94 -48.6 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 170.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.43 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -62.59 -31.45 72.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.202 -174.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.616 ' O ' ' N ' ' A' ' 56' ' ' SER . 15.7 t80 -96.87 -43.55 7.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ALA . 95.0 m-20 -33.22 -50.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 164.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.479 HG13 ' HA ' ' A' ' 61' ' ' ARG . 43.1 t -61.98 -49.24 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 173.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.403 ' HB3' HG21 ' A' ' 20' ' ' ILE . 75.0 mt -94.45 2.59 55.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 -166.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.616 ' N ' ' O ' ' A' ' 52' ' ' TYR . 95.9 p -112.28 -18.67 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 172.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -133.38 118.95 15.09 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 -172.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HA ' ' HB3' ' A' ' 61' ' ' ARG . 81.5 Cg_exo -58.24 -17.37 32.31 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.779 1.653 . . . . 0.0 111.244 -174.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -69.4 -33.74 73.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.246 -171.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.55 ' NZ ' ' OG1' ' A' ' 93' ' ' THR . 99.5 mttt -106.03 -11.76 16.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 174.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.479 ' HA ' HG13 ' A' ' 54' ' ' VAL . 16.7 tpt180 -57.16 -60.43 3.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.217 175.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -51.66 -41.44 61.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.83 -66.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.176 -171.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -42.54 -54.08 4.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.45 -37.8 82.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.253 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -66.5 -53.92 29.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.244 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -115.69 -46.3 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.23 -176.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.65 -155.1 21.77 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.2 pm0 -84.52 -18.19 36.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 0.0 111.186 -173.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.2 -27.86 67.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.18 -5.49 87.3 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.3 mt -109.47 -27.38 9.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 111.176 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.415 ' HG3' ' HA ' ' A' ' 91' ' ' SER . 87.9 tttt -81.5 -46.09 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.206 175.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.566 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -174.032 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.415 ' HA ' ' HG3' ' A' ' 73' ' ' LYS . 21.8 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.811 0.338 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -81.53 147.78 29.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.254 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.55 ' OG1' ' NZ ' ' A' ' 60' ' ' LYS . 67.8 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.8 t60 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.799 0.333 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.43 -56.51 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.265 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 78.3 mtm -55.87 -55.72 29.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.472 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 41.4 t80 -63.82 -52.31 60.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.187 -174.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.98 -31.53 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -74.51 -44.29 51.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.243 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -72.21 -56.97 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -175.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -115.77 -30.21 6.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 -169.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.78 28.82 58.41 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 173.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.472 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.433 ' C ' ' OD1' ' A' ' 4' ' ' ASP . 27.9 p30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.795 0.331 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.503 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 3.3 m-30 -61.09 -33.69 73.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 -165.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -67.64 -30.58 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.216 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -86.5 -8.76 57.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.7 p -92.39 -26.29 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.6 mt -85.25 -27.16 26.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 170.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.48 31.5 16.03 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.5 mt -116.97 162.62 17.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.766 0.317 . . . . 0.0 111.233 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.81 151.56 28.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.225 166.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -49.42 -28.99 5.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.216 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.05 23.36 30.95 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -169.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.38 170.11 9.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.727 0.299 . . . . 0.0 111.208 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.9 p -94.82 157.4 15.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.5 -35.09 75.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.81 -46.54 84.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -68.77 -33.3 73.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.437 HG21 ' HB3' ' A' ' 55' ' ' LEU . 72.3 mt -60.78 -39.49 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 172.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.81 -37.15 85.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 175.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.06 -50.7 63.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.5 75.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -63.3 -45.46 91.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -51.88 -58.87 5.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 172.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -58.41 -41.49 85.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -173.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -75.16 -37.27 61.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.194 -173.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.36 70.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.208 172.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.18 -32.87 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.197 169.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -64.5 -35.42 80.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -111.68 10.05 21.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -177.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -49.85 139.67 16.48 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.265 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -52.1 -36.66 66.86 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.704 1.603 . . . . 0.0 111.224 -175.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -88.07 11.48 15.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -126.21 -38.45 2.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -175.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -147.68 115.71 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 -175.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.65 32.74 5.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.235 175.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -81.11 131.79 58.39 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.22 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -53.43 120.12 7.28 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.617 1.545 . . . . 0.0 111.248 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.77 -31.72 8.41 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' ' 44' ' ' LYS . . . -64.06 -31.47 72.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 111.248 173.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.81 -41.01 81.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 170.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -71.75 -34.69 69.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 174.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 98.7 mttt -67.41 -26.3 66.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 173.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -71.16 -38.86 72.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 171.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.1 mttt -61.49 -38.79 88.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.239 171.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -57.98 -42.96 86.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 173.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.8 -42.73 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 172.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -48.07 -53.18 17.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 174.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 34.8 tt0 -69.08 -30.94 69.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.67 -25.53 68.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.593 ' O ' ' N ' ' A' ' 56' ' ' SER . 32.3 t80 -104.32 -24.97 13.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.198 176.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.413 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 36.5 t0 -51.4 -51.52 54.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 165.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.425 ' HA ' ' HB2' ' A' ' 60' ' ' LYS . 45.0 t -52.12 -46.41 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 168.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.437 ' HB3' HG21 ' A' ' 20' ' ' ILE . 70.9 mt -101.09 0.33 37.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 -162.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 52' ' ' TYR . 88.4 p -105.93 -33.51 7.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 168.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -104.22 114.33 64.42 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 173.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -54.71 -37.13 91.67 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.723 1.615 . . . . 0.0 111.233 -167.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -82.0 8.94 9.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 -161.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 54' ' ' VAL . 63.4 mttp -115.22 -5.57 12.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.242 172.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.422 ' HA ' HG13 ' A' ' 54' ' ' VAL . 78.8 ttt180 -89.66 -35.45 15.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 173.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.93 -12.06 22.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.175 168.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.4 mt -100.82 -57.38 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.17 170.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CD2' HG11 ' A' ' 54' ' ' VAL . 37.6 t80 -47.77 -59.47 3.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.177 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.09 -39.87 95.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -61.04 -55.68 29.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -112.7 -47.56 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 135.97 -154.04 21.71 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.8 pm0 -85.33 -16.78 38.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 111.207 -175.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -61.87 -26.56 68.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.59 -3.61 88.98 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.0 mt -112.13 -21.55 11.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.844 0.355 . . . . 0.0 111.259 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -85.06 -37.65 20.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 170.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.501 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -174.425 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 CA--C 1.523 -0.082 0 CA-C-O 120.74 0.305 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -66.79 142.18 57.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.233 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 97.9 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.25 177.538 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 77.6 m80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.822 0.344 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.83 -54.55 45.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 78.8 mtm -54.82 -53.49 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.228 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.453 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 35.6 t80 -61.6 -52.39 64.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 -177.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.42 -37.55 70.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -68.89 -46.05 69.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -71.14 -58.92 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.237 -175.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -117.29 -23.09 7.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -165.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.16 38.19 87.73 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 169.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.453 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . . . . . . 0 CA--C 1.523 0.573 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.0 t0 . . . . . 0 CA--C 1.523 -0.092 0 CA-C-O 120.827 0.346 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.434 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 9.4 m-30 -56.42 -38.34 71.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -177.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -74.65 -35.01 62.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.221 -173.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -73.42 -16.36 61.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.199 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.5 p -96.34 -28.02 14.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 176.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.2 tp -78.47 -49.62 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.08 29.79 1.73 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.8 mt -128.91 170.48 13.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.156 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.24 158.72 26.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 166.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.1 ptt-85 -66.27 -13.43 60.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.201 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.51 21.23 24.14 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 171.37 5.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 111.21 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.9 p -102.71 160.96 14.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.183 -175.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -56.5 -40.45 74.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.42 -46.34 86.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -68.06 -34.49 76.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.235 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.487 HG21 ' HB3' ' A' ' 55' ' ' LEU . 78.5 mt -62.15 -39.58 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.234 175.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.19 -44.61 75.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -64.49 -56.07 16.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.225 177.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.69 -43.59 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.273 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -62.62 -42.36 99.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.24 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -56.22 -47.02 79.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.223 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -55.66 -46.29 77.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -75.74 -37.85 58.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.58 88.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 174.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.1 mt -66.72 -35.63 80.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.227 170.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -61.05 -40.63 94.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.239 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.452 ' HB3' ' HB2' ' A' ' 45' ' ' PHE . 72.2 m-85 -106.59 4.41 28.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 -175.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -47.87 139.1 9.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.178 174.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -51.85 -36.71 64.24 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.727 1.618 . . . . 0.0 111.205 -176.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -85.2 8.78 17.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.235 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -126.59 -36.24 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.218 -176.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.407 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 43.7 t-20 -149.24 113.42 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.205 -175.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -119.01 97.3 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.237 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -156.54 133.69 6.58 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.03 129.94 17.03 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.736 1.624 . . . . 0.0 111.2 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.59 -5.9 82.3 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -171.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.18 -34.58 6.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.783 0.325 . . . . 0.0 111.164 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -60.68 -26.33 67.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 160.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -73.56 -38.34 65.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 172.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.66 -40.03 82.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 168.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.452 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 1.7 t80 -59.55 -40.88 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.237 172.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.05 -38.66 92.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.19 176.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.5 -39.27 87.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 173.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.6 mm -67.45 -45.09 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.212 173.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.76 -50.82 43.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.186 171.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 53' ' ' ASP . 44.6 tp10 -61.1 -46.61 89.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.163 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.434 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -44.93 -62.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.224 170.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.518 ' O ' ' N ' ' A' ' 56' ' ' SER . 18.8 t80 -64.82 -39.9 94.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.223 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' A' ' 50' ' ' GLU . 32.6 t70 -39.31 -52.17 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.204 171.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.458 HG13 ' HA ' ' A' ' 61' ' ' ARG . 45.2 t -62.01 -45.07 99.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.207 172.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' HB3' HG21 ' A' ' 20' ' ' ILE . 68.1 mt -89.09 5.39 44.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -167.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 52' ' ' TYR . 88.4 p -124.5 -33.01 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 172.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -106.53 114.78 61.66 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -174.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -59.28 -20.97 58.1 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.662 1.575 . . . . 0.0 111.253 -174.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -73.33 -25.52 60.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.239 -171.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -107.11 -10.93 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.458 ' HA ' HG13 ' A' ' 54' ' ' VAL . 79.9 ttt180 -61.15 -58.76 7.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.227 173.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.15 -38.92 63.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.13 -66.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 -175.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -42.07 -57.15 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 172.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -54.84 -44.29 73.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 -177.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -81.38 -25.97 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -171.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -127.22 -56.31 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 -173.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.2 -147.1 17.21 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.6 mp0 -79.13 -46.23 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.149 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -71.1 -23.97 62.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.34 0.27 88.55 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 tp -111.59 -21.19 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.767 0.318 . . . . 0.0 111.176 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -89.45 -31.31 17.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 171.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.643 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -177.227 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.754 0.312 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -52.71 149.67 5.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.257 170.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 93' ' ' THR . 86.5 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.25 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.5 t60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.864 0.364 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.71 -49.5 58.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 170.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 74.3 mtm -61.54 -35.3 77.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 174.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.94 -48.89 79.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 172.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.12 -32.5 62.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.16 -42.87 45.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 176.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -70.42 -56.92 5.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.275 -175.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -117.33 -29.56 5.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.265 -170.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.37 27.29 61.86 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.574 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -179.154 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.3 t0 . . . . . 0 CA--C 1.523 -0.086 0 CA-C-O 120.788 0.327 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.511 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 8.5 m-30 -53.09 -40.93 64.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 -174.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.401 ' CD1' ' HG2' ' A' ' 13' ' ' ARG . 46.8 m-85 -71.53 -27.95 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.239 -176.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -69.86 -26.54 64.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.218 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.8 p -89.59 -25.84 21.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.254 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.456 ' HA ' ' HG3' ' A' ' 27' ' ' GLN . 80.4 mt -78.4 -35.06 47.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.227 170.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.47 47.11 3.85 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.426 HD23 ' H ' ' A' ' 11' ' ' LEU . 1.3 pt? -148.81 175.84 10.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 111.183 175.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.72 143.32 42.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HG2' ' CD1' ' A' ' 6' ' ' TYR . 99.6 mtt180 -56.15 -24.69 42.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.255 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.96 22.66 31.13 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -175.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.09 174.45 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 111.15 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.1 p -98.57 163.89 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -52.69 -43.32 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -62.86 -47.67 82.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -62.94 -35.51 80.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.0 mt -62.35 -43.4 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 174.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.49 -42.95 98.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.18 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -64.96 -52.57 55.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.22 177.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.52 -43.29 71.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.252 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -64.39 -46.14 84.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.205 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -53.98 -48.89 69.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 177.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -51.65 -44.44 63.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.166 176.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.456 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 54.3 mm-40 -71.07 -46.55 61.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 -174.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.0 74.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.54 -37.0 84.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 170.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.79 -41.09 96.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.25 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.406 ' HA ' ' HB3' ' A' ' 36' ' ' ASN . 93.6 m-85 -104.37 9.08 35.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.256 -174.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -50.65 139.75 20.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 166.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.41 -36.44 69.4 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.603 1.535 . . . . 0.0 111.244 -175.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -88.65 9.09 25.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -126.09 -30.8 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.215 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 23.1 t-20 -148.18 125.39 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 176.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -126.77 85.36 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -138.94 140.73 27.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -177.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.15 130.44 16.48 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.648 1.565 . . . . 0.0 111.197 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.8 -41.59 2.62 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -176.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.9 -37.74 77.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.707 0.289 . . . . 0.0 111.178 171.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -53.99 -35.17 61.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.229 170.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -82.14 -33.93 29.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.5 -35.0 77.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.184 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.74 -43.01 90.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.2 173.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -58.1 -38.44 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.215 173.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -64.98 -45.24 86.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 174.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.454 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 83.1 mt -64.47 -23.36 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 174.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.73 -31.39 59.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.204 174.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -66.88 -36.24 81.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.184 171.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -49.53 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.224 170.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.558 ' O ' ' N ' ' A' ' 56' ' ' SER . 11.9 t80 -62.1 -39.26 91.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.251 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -41.48 -53.23 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 170.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.496 HG13 ' HA ' ' A' ' 61' ' ' ARG . 50.3 t -59.33 -45.04 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 173.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.2 mt -90.92 -8.07 50.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -164.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 52' ' ' TYR . 98.0 p -109.29 -31.69 7.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 174.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 45.5 t0 -110.57 116.51 52.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.19 -173.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 85.6 Cg_exo -59.24 -18.77 46.62 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.665 1.577 . . . . 0.0 111.216 -174.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -76.82 -26.09 54.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -171.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -107.96 -11.06 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.246 171.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.496 ' HA ' HG13 ' A' ' 54' ' ' VAL . 39.9 ttm180 -60.78 -55.97 26.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.198 172.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -52.72 -43.58 65.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.88 -69.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -172.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -41.7 -57.84 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 173.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -55.21 -43.51 74.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -68.63 -55.86 10.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.202 -173.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -111.43 -45.54 3.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.268 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.24 -152.2 19.67 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -77.85 -35.91 50.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 -173.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.61 -29.94 70.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.258 -175.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.53 -7.93 87.61 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.4 tp -104.37 -30.14 10.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -85.12 -35.0 22.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 174.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -176.878 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.3 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.758 0.313 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -47.32 144.01 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.186 172.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.716 ' O ' HG23 ' A' ' 93' ' ' THR . 12.7 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.197 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.4 t60 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.758 0.313 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.67 -39.81 26.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 169.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 89.9 mtp -59.62 -45.91 90.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.199 167.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -56.67 -49.94 73.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.252 174.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.22 -34.46 60.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -75.45 -41.7 55.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -73.19 -57.85 3.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.241 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -114.43 -29.31 6.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.205 -170.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 72.64 30.74 63.65 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 179.269 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.1 t0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.82 0.343 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.46 ' CG ' ' HA ' ' A' ' 51' ' ' ALA . 6.9 m-30 -53.84 -39.47 65.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.227 -172.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -76.11 -30.49 58.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -174.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -72.76 -29.59 63.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 170.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.7 m -75.28 -37.24 61.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.1 mt -78.26 -30.78 48.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.223 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.15 50.33 2.45 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 11' ' ' LEU . 2.2 pt? -157.06 179.47 9.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 175.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.96 148.9 36.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -176.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.93 -18.85 65.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.8 20.78 31.08 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -176.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.13 -176.11 2.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.77 0.319 . . . . 0.0 111.173 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.1 p -104.93 165.58 10.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -61.68 -32.43 72.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.92 -46.79 76.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 176.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -68.03 -31.77 71.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.437 HG21 ' HG ' ' A' ' 55' ' ' LEU . 79.3 mt -65.02 -40.44 89.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 173.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.75 -45.48 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -63.1 -49.14 75.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.208 174.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.13 -44.26 15.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 176.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -74.66 -49.51 21.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -36.14 -53.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 170.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -59.88 -57.1 14.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.181 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -66.51 -38.04 86.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.184 -168.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.22 91.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.267 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.6 -37.85 88.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 172.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -62.75 -42.26 99.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -106.15 7.17 31.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.287 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -48.8 139.34 11.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 169.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -52.47 -36.62 70.75 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.677 1.585 . . . . 0.0 111.223 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -87.25 9.21 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.45 -29.59 2.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.215 -176.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -148.04 122.29 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.0 88.13 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -150.61 132.5 7.88 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -69.54 134.06 27.52 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.713 1.608 . . . . 0.0 111.171 177.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.07 -44.93 1.84 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -174.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.36 -35.79 80.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 111.179 162.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -51.68 -36.66 47.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.267 166.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -82.2 -30.9 30.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -66.35 -30.73 71.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 172.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -73.87 -35.38 64.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.216 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 97.7 mttt -62.08 -36.74 82.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.209 168.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.45 -43.33 99.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.198 173.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.52 -46.97 95.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 173.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -41.06 -76.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.229 172.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -45.48 -34.88 3.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.46 ' HA ' ' CG ' ' A' ' 5' ' ' TYR . . . -68.01 -27.98 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.247 -175.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.532 ' O ' ' C ' ' A' ' 53' ' ' ASP . 61.1 t80 -105.0 -46.34 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.204 174.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.532 ' C ' ' O ' ' A' ' 52' ' ' TYR . 37.5 t70 -23.68 -55.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 175.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.468 HG23 HD22 ' A' ' 55' ' ' LEU . 8.7 m -78.1 -25.92 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.226 -171.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.8 mm? -73.94 -31.95 63.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 171.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.418 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 81.3 p -83.96 -15.65 47.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 174.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -121.87 101.76 41.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -65.03 -8.59 18.72 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.72 1.614 . . . . 0.0 111.154 -169.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -76.34 -40.96 49.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.211 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 63' ' ' ILE . 96.1 mttt -85.74 -39.57 17.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.22 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -26.57 -47.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.212 159.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 66' ' ' ARG . 71.6 mm-40 -68.05 -27.15 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.268 -175.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 60' ' ' LYS . 96.8 mt -82.18 -67.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 168.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -49.44 -70.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.249 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.21 -42.73 99.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.225 -168.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 60.7 ttm-85 -64.14 -55.98 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -106.44 -57.2 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -170.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 147.84 -169.07 28.68 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -79.68 -32.39 41.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 111.201 -172.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.39 -26.72 68.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.47 -7.5 87.46 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.0 tp -102.6 -27.54 12.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 111.192 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -89.01 -34.83 16.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.211 172.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.536 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -171.396 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.82 0.343 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -47.55 140.72 5.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.178 169.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 93' ' ' THR . 53.1 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.246 172.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.4 t60 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.81 0.338 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.79 -50.94 72.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.254 166.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 76.7 mtm -60.82 -38.4 85.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.73 -47.79 84.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.52 -33.74 64.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -75.26 -42.61 54.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.18 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -69.8 -56.02 8.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 -177.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -118.39 -31.43 4.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.181 -169.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 79.81 29.24 48.23 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.544 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.177 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mtp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.789 0.328 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.72 137.08 14.03 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -92.56 42.48 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.85 0.357 . . . . 0.0 111.233 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -61.09 113.76 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -177.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -53.11 -40.76 64.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.424 ' CG ' ' HA ' ' A' ' 13' ' ' ARG . 95.1 m-85 -69.72 -32.61 71.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.149 -175.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -76.79 -23.51 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 177.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.7 p -85.09 -24.77 27.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 174.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.1 mt -75.98 -34.01 59.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 167.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.51 47.39 3.76 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.471 HD12 ' C ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -158.56 178.53 10.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 111.215 178.68 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.71 148.7 36.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 -173.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.424 ' HA ' ' CG ' ' A' ' 6' ' ' TYR . 99.5 mtt180 -62.34 -16.13 52.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.221 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.04 20.96 32.49 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.22 174.7 6.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 111.2 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 85.7 p -99.17 162.66 12.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 -177.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -54.12 -41.31 68.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -63.16 -46.59 86.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.183 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -63.77 -36.24 83.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.182 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 77.6 mt -61.91 -38.95 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.204 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -68.04 -46.42 71.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -65.51 -51.18 61.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.233 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.01 -42.25 62.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.222 174.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.436 ' OH ' ' O ' ' A' ' 98' ' ' PRO . 50.2 t80 -64.17 -41.13 97.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.242 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.4 ttp180 -55.87 -49.97 71.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.253 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -52.43 -45.4 65.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -73.97 -42.67 60.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 -174.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.1 -35.0 79.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.181 176.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.87 -38.71 89.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 170.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -60.57 -39.72 89.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.266 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.418 ' HA ' ' HB3' ' A' ' 36' ' ' ASN . 97.7 m-85 -108.6 7.65 26.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.258 -175.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -48.98 139.25 12.39 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.187 169.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -52.49 -36.33 69.8 Favored 'Trans proline' 0 C--N 1.328 -0.533 0 C-N-CA 121.714 1.609 . . . . 0.0 111.131 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -87.88 8.47 25.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -124.82 -35.05 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.418 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 41.4 t-20 -147.37 120.13 8.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -123.82 88.38 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.274 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -148.67 131.68 8.08 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.167 -177.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.08 132.39 24.32 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.675 1.583 . . . . 0.0 111.204 178.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.15 -47.74 1.34 Allowed Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -174.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.03 -38.26 88.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 0.0 111.22 167.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -54.6 -34.68 62.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 170.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -79.5 -36.96 37.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.35 -40.32 81.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.242 170.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -61.52 -40.92 96.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.237 175.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.81 -42.83 94.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 173.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.17 -37.33 87.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.231 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 93.5 mt -70.55 -45.42 74.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 174.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.423 ' HB1' ' HD2' ' A' ' 98' ' ' PRO . . . -54.35 -39.54 67.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 171.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -66.22 -46.49 77.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.223 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.24 -56.74 5.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 173.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.494 ' O ' ' C ' ' A' ' 53' ' ' ASP . 76.6 t80 -66.54 -46.76 75.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.167 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.494 ' C ' ' O ' ' A' ' 52' ' ' TYR . 35.9 t70 -27.52 -56.47 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 176.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.435 ' O ' ' HB2' ' A' ' 61' ' ' ARG . 1.5 m -74.18 -33.54 35.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -174.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.488 ' HA ' HD13 ' A' ' 55' ' ' LEU . 0.6 OUTLIER -66.06 -29.2 69.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.211 176.656 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 94.9 p -90.86 -23.08 20.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 177.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -117.53 109.06 42.33 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.241 -173.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -59.79 -18.04 46.59 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.707 1.604 . . . . 0.0 111.248 -172.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -74.02 -32.43 63.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.197 -171.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -104.15 -6.61 20.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.274 172.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 54' ' ' VAL . 56.6 ttt180 -67.52 -51.88 45.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.168 178.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -52.08 -38.52 57.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.226 174.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.8 mt -70.54 -62.39 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.189 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -42.58 -57.61 2.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 169.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -56.91 -42.88 80.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -66.76 -55.68 13.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.229 -173.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -111.76 -44.73 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.264 -174.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 129.84 -150.81 19.14 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -178.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.6 mp0 -79.04 -36.32 41.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 111.238 -173.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.8 -29.46 69.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.175 -175.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.17 -3.62 88.47 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 tp -110.49 -27.92 8.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.754 0.312 . . . . 0.0 111.231 178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -80.17 -37.85 32.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 116.88 31.04 1.83 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 82.3 p -136.81 17.93 3.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.751 0.31 . . . . 0.0 111.196 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -88.96 -131.61 4.12 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -176.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -54.25 -44.77 46.39 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.702 1.601 . . . . 0.0 111.176 -174.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 84.1 p -100.55 41.42 1.18 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.186 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.27 135.19 48.26 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 -171.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 106.73 -39.12 3.0 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 92.4 p -88.86 -20.92 24.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.206 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 42.67 69.27 0.63 Allowed Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 62.36 -103.17 0.56 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -175.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.39 12.33 23.66 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.84 78.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 111.279 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 68.08 -84.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.166 173.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -119.56 12.93 10.97 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 92.4 m -99.33 135.8 40.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.713 0.292 . . . . 0.0 111.252 -172.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.4 p -75.46 154.44 37.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 175.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -168.33 122.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -171.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.9 p -91.03 173.63 7.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.192 172.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -46.37 142.46 2.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.256 170.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.699 ' O ' HG23 ' A' ' 93' ' ' THR . 10.3 t -71.03 73.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.228 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -74.94 -9.82 58.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 -174.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -52.21 -54.35 32.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.202 166.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.97 86.8 0.01 OUTLIER Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 160.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -120.0 96.75 49.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.335 . . . . 0.0 111.159 -176.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.436 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 84.1 Cg_endo -78.14 45.64 1.87 Allowed 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.718 1.612 . . . . 0.0 111.175 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -88.93 -21.12 23.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.221 159.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.86 -43.09 63.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.224 166.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 67.6 mtt -57.6 -50.24 73.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 169.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.439 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 51.1 t80 -58.78 -50.46 73.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.24 -35.85 62.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -74.84 -44.38 49.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.22 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.28 -55.63 8.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.241 -174.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -116.66 -30.05 5.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.188 -170.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.82 27.95 59.81 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.439 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . 69.52 35.7 75.56 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -136.3 178.8 6.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 111.198 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 . . . . . 0 C--O 1.2 -1.542 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 179.682 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.5 mmm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.781 0.324 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.41 102.91 0.93 Allowed Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 21.0 ptmt -162.86 44.57 0.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.829 0.347 . . . . 0.0 111.239 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -154.94 115.35 3.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 -173.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.525 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 3.9 m-30 -54.71 -39.41 68.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.157 -173.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -70.74 -32.45 69.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.193 -176.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -81.43 -16.05 53.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.7 p -89.39 -26.88 20.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 173.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.491 ' HA ' ' HG3' ' A' ' 27' ' ' GLN . 83.6 mt -82.3 -31.57 29.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.27 171.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.29 45.94 5.15 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 175.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.436 HD23 ' H ' ' A' ' 11' ' ' LEU . 1.9 pt? -146.45 174.11 11.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.791 0.329 . . . . 0.0 111.23 174.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.62 144.76 37.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.255 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.5 ptt-85 -63.49 -14.96 56.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.263 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -108.86 19.68 30.17 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.18 177.85 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 111.2 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.7 p -100.55 164.62 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.168 -177.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -53.55 -40.67 65.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.185 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -66.88 -43.68 82.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.227 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -65.72 -36.27 83.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.448 HG21 ' HB3' ' A' ' 55' ' ' LEU . 81.1 mt -61.52 -41.75 91.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 174.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -67.88 -40.85 83.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.188 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -66.1 -48.01 72.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.0 -44.87 71.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.239 173.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -61.88 -45.66 92.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.25 178.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -54.18 -50.6 66.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.241 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -53.38 -45.17 69.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.491 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 5.8 mm100 -75.89 -41.43 52.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -172.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.01 -32.66 74.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.185 175.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.71 -37.85 85.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.232 168.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -61.99 -41.01 97.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -105.56 11.24 32.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 -175.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.4 t-80 -52.52 139.15 39.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.223 167.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -52.42 -36.02 67.8 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.66 1.573 . . . . 0.0 111.204 -175.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -90.18 9.26 29.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.205 -176.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -123.96 -36.12 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.2 t-20 -149.9 110.21 4.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -123.08 36.84 4.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -85.47 150.98 55.36 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.194 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.53 124.09 15.43 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 121.721 1.614 . . . . 0.0 111.247 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.16 -23.63 35.58 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.13 -35.47 77.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.841 0.353 . . . . 0.0 111.217 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.77 -42.98 68.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.264 172.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -74.39 -34.02 63.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.214 179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.71 -32.42 73.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 174.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.15 -37.82 81.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.149 172.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.505 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.2 mttt -62.57 -38.22 89.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 172.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -57.87 -39.54 78.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.279 173.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.4 mm -65.98 -41.79 90.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 174.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -45.62 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 173.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.404 ' HA ' ' HB2' ' A' ' 53' ' ' ASP . 15.4 pt-20 -42.63 -34.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 177.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.525 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -68.84 -32.06 71.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -177.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 56' ' ' SER . 31.4 t80 -99.44 -40.4 7.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.172 178.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.404 ' HB2' ' HA ' ' A' ' 50' ' ' GLU . 92.1 m-20 -31.21 -54.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 164.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.515 HG13 ' HA ' ' A' ' 61' ' ' ARG . 43.9 t -60.09 -42.95 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.448 ' HB3' HG21 ' A' ' 20' ' ' ILE . 67.9 mt -94.73 -1.76 52.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.253 -167.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 52' ' ' TYR . 79.4 p -109.22 -28.52 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 173.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -123.67 117.36 27.59 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.217 -172.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -57.47 -18.82 33.43 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.62 1.547 . . . . 0.0 111.207 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -66.16 -36.4 83.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.19 -175.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 49.8 mttp -103.99 -9.24 19.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.515 ' HA ' HG13 ' A' ' 54' ' ' VAL . 80.3 ttt180 -57.51 -62.34 1.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.264 172.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -51.98 -38.26 56.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.251 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.4 -68.73 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.274 -174.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' GLY . 63.8 t80 -42.9 -58.21 2.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 170.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -50.56 -42.95 56.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.243 -177.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 63.8 ttm-85 -71.58 -56.37 6.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.149 -175.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -106.39 -44.24 4.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 -174.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' PHE . . . 117.51 -142.44 17.27 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -75.0 -45.45 41.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 111.235 -174.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.8 mp0 -60.17 -27.21 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.71 -4.68 88.79 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.5 tp -114.32 -23.34 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.808 0.337 . . . . 0.0 111.176 176.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -71.5 -57.27 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 169.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.59 56.08 5.04 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -175.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.9 p -114.02 18.82 16.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.751 0.31 . . . . 0.0 111.192 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -135.91 176.9 19.92 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -177.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -80.1 68.37 8.33 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.704 1.603 . . . . 0.0 111.207 -175.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.8 m -63.08 124.78 22.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -177.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.66 -18.95 49.14 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -178.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -106.45 26.7 19.21 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.8 t -56.08 143.68 31.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.839 0.352 . . . . 0.0 111.15 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.92 85.75 0.78 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -175.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.76 21.94 13.29 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -103.26 -137.03 9.28 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -154.86 157.11 37.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.743 0.306 . . . . 0.0 111.199 178.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -51.24 127.98 20.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 103.28 -20.34 42.97 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.9 m -48.78 99.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 111.239 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.0 t -72.26 135.06 45.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -75.4 132.62 41.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 174.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 92' ' ' TYR . 38.8 t -56.08 -156.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 171.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.461 ' N ' ' OG ' ' A' ' 91' ' ' SER . 67.3 m-85 -95.45 150.54 20.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.224 -173.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 99.1 m -68.81 79.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 173.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -76.27 133.37 40.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -82.74 72.72 9.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 -173.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 39.52 -117.78 0.82 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -93.64 109.1 38.91 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 111.184 -171.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_endo -77.17 -8.61 17.62 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.711 1.607 . . . . 0.0 111.219 176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -92.75 -22.68 19.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 -169.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.63 72.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 172.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 77.9 mtm -56.68 -46.9 80.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.464 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 30.9 t80 -64.29 -51.28 64.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.233 -179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.79 -34.42 67.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.223 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 -72.3 -46.89 53.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.225 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.28 -53.32 17.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 -174.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -118.35 -32.04 4.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.214 -169.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 78.1 24.98 62.74 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.464 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . 68.9 39.52 85.29 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -137.04 175.21 9.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.819 0.342 . . . . 0.0 111.224 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.245 177.816 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.773 0.321 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.53 151.62 15.42 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -105.68 118.11 35.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.774 0.321 . . . . 0.0 111.227 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -57.05 118.55 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.209 178.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.437 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 8.8 m-30 -65.61 -25.48 67.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.216 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -79.33 -30.14 42.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -80.43 -15.04 57.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 170.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.7 m -79.07 -32.97 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 171.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 mp -97.06 -12.69 22.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.53 32.01 58.12 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.3 mt -112.3 166.26 11.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 0.0 111.258 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.87 154.35 28.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.22 164.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -50.43 -31.69 15.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.82 28.99 13.06 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 -169.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.89 113.29 6.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.753 0.311 . . . . 0.0 111.194 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.2 p -48.9 162.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -62.08 -26.63 68.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.219 -170.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -69.15 -43.04 75.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -70.23 -33.67 71.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.8 mt -61.29 -42.56 94.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.234 173.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.25 -39.99 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.293 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -65.09 -55.4 19.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 176.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -50.48 -43.45 55.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 173.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -61.47 -44.48 97.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.239 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.517 ' HA ' ' CE1' ' A' ' 102' ' ' PHE . 36.1 ttm180 -55.64 -48.07 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 176.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.83 -40.25 94.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -176.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.572 ' HA ' ' OE1' ' A' ' 27' ' ' GLN . 5.0 mm-40 -74.54 -39.89 62.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.237 -177.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.24 80.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.0 mt -73.65 -31.98 63.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 172.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -61.89 -37.41 84.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.189 175.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -106.14 13.28 29.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.419 ' NE2' ' O ' ' A' ' 109' ' ' ARG . 61.1 t-80 -53.14 136.02 49.24 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.208 168.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -52.51 -35.16 65.4 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.683 1.589 . . . . 0.0 111.172 -176.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -93.99 10.79 32.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 -175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -121.89 -39.8 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -146.31 120.41 9.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -131.21 83.95 2.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 169.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -123.95 152.98 67.4 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -173.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -56.04 117.7 4.38 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.705 1.603 . . . . 0.0 111.184 175.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.86 -21.59 45.19 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.84 -35.88 81.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 0.0 111.201 -178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.23 -44.77 68.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 171.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -74.31 -33.9 63.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.15 -28.56 68.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.207 175.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.91 -35.06 59.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.262 174.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 97.5 mttt -62.84 -39.45 94.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 170.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.72 -36.29 69.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.5 mm -71.21 -43.13 75.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.193 171.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -47.35 -57.95 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.264 175.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -70.34 -34.92 73.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -176.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -51.41 -63.43 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.254 172.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.607 ' O ' ' N ' ' A' ' 56' ' ' SER . 21.6 t80 -63.17 -39.93 96.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -41.93 -51.27 4.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.527 HG13 ' HA ' ' A' ' 61' ' ' ARG . 43.3 t -61.6 -46.01 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.203 171.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 51' ' ' ALA . 66.6 mt -90.02 7.55 37.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 -168.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.607 ' N ' ' O ' ' A' ' 52' ' ' TYR . 95.8 p -124.01 -34.92 2.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 171.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -107.74 115.91 58.27 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.184 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -60.88 -15.37 37.9 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.699 1.599 . . . . 0.0 111.206 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -77.52 -23.41 50.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -172.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -107.21 -10.91 15.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.234 171.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.527 ' HA ' HG13 ' A' ' 54' ' ' VAL . 42.7 ttp85 -58.36 -60.99 2.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 172.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -52.26 -40.61 61.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.227 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.7 mt -69.49 -69.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.142 -173.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -42.51 -56.63 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 174.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -54.72 -44.2 73.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.182 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.8 tpp180 -68.6 -53.45 22.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.211 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -120.34 -44.86 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.241 -177.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.69 -128.51 7.84 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -175.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -83.62 -7.94 59.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.313 . . . . 0.0 111.181 -178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.56 -31.17 72.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.177 -176.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -114.34 -21.18 5.62 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 28.7 tp -79.86 -38.88 31.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 0.0 111.184 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -91.36 -33.35 15.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.24 166.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 92.4 26.86 16.76 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -171.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.0 p -103.05 22.47 13.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.788 0.328 . . . . 0.0 111.181 -174.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.68 -176.53 1.12 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 174.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -75.36 -23.29 13.36 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.712 1.608 . . . . 0.0 111.179 -172.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.7 p -86.0 167.65 14.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.95 -13.14 9.47 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.0 -25.91 54.53 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 96.5 p -95.63 6.07 49.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.862 0.363 . . . . 0.0 111.259 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -68.56 -37.33 85.07 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -175.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.91 -106.39 2.27 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -105.75 6.59 41.19 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -76.23 -15.77 59.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 111.229 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -103.29 152.02 22.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.17 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 68.3 -83.77 0.19 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.6 m -63.82 139.49 58.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.87 0.367 . . . . 0.0 111.138 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.6 t -55.91 130.05 42.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -154.64 134.95 13.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -169.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.6 t -111.36 -143.37 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.195 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -97.59 160.03 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.184 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 93' ' ' THR . 92.8 m -72.89 67.62 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 173.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -73.99 140.96 45.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.188 174.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -65.82 137.16 57.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.214 172.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.22 -70.23 1.01 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -109.84 84.55 3.45 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 111.27 175.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -77.76 2.32 7.97 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.684 1.589 . . . . 0.0 111.245 176.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -92.57 -16.86 25.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.01 -48.32 53.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 -178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 77.6 mtm -54.12 -40.27 67.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.259 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.517 ' CE1' ' HA ' ' A' ' 25' ' ' ARG . 13.2 t80 -75.52 -43.73 47.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.181 -178.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.48 -34.04 60.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.197 175.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -74.87 -39.89 61.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 175.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -72.8 -59.35 2.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.214 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.401 ' HB3' ' CE1' ' A' ' 102' ' ' PHE . 82.1 t80 -115.56 -35.06 4.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 -170.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 85.97 36.91 9.65 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -174.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.436 ' HA3' ' CE2' ' A' ' 102' ' ' PHE . . . -81.38 65.02 4.08 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 170.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.419 ' O ' ' NE2' ' A' ' 32' ' ' HIS . 80.0 ttt180 -48.38 110.85 0.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.754 0.311 . . . . 0.0 111.242 -167.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 C--O 1.2 -1.523 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 179.521 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mtp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.822 0.344 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -94.07 -157.76 33.19 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.294 -0.723 . . . . 0.0 111.294 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -120.53 108.95 14.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.745 0.307 . . . . 0.0 111.176 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -76.53 108.35 9.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.23 -173.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.516 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 4.7 m-30 -59.11 -35.73 73.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.244 -177.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -76.39 -31.83 58.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.287 -173.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -80.77 -18.78 46.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 172.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.3 m -75.79 -39.55 56.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.252 171.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.44 ' HA ' ' HG3' ' A' ' 27' ' ' GLN . 76.9 mt -84.37 -27.3 27.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 -178.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.9 46.47 6.26 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.444 HD23 ' H ' ' A' ' 11' ' ' LEU . 1.3 pt? -144.77 172.67 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 111.213 173.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.21 148.64 37.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 ptt-85 -63.92 -18.02 63.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.19 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -104.74 22.44 33.84 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.17 115.61 13.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 111.14 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.0 p -48.81 163.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 171.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.431 ' HA ' HD12 ' A' ' 20' ' ' ILE . 99.9 m-20 -65.46 -26.2 67.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 -167.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -70.88 -36.54 72.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 82.4 mm-40 -73.9 -28.22 61.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 173.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 17' ' ' ASP . 90.3 mt -68.63 -46.89 79.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 173.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -48.8 -50.94 31.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.178 171.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -62.68 -58.52 7.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.72 -46.54 29.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.493 ' OH ' ' O ' ' A' ' 98' ' ' PRO . 65.0 t80 -65.82 -44.81 84.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 -177.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -54.83 -49.78 70.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.168 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -52.43 -46.29 66.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.259 175.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.452 ' HB3' HD13 ' A' ' 48' ' ' ILE . 54.7 mm-40 -70.79 -45.5 64.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 -174.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.52 -34.31 77.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.63 -41.48 98.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.169 170.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -63.62 -41.51 98.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.222 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.455 ' HA ' ' HB3' ' A' ' 36' ' ' ASN . 67.4 m-85 -103.92 7.54 36.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.204 -174.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -49.2 139.37 13.45 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 167.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -52.17 -36.47 66.83 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.745 1.63 . . . . 0.0 111.202 -175.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -87.91 8.81 24.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.242 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.11 -29.21 2.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 -176.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.455 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 62.2 t-20 -154.08 109.68 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 177.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -120.12 89.98 3.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -149.09 130.19 7.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.198 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -54.97 129.28 34.44 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.651 1.567 . . . . 0.0 111.221 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.62 -47.4 1.32 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.33 -37.24 84.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 111.177 166.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -54.83 -34.92 63.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 169.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -79.17 -35.87 41.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.226 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -58.99 -35.69 73.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 171.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.7 -38.14 83.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 175.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.72 -40.19 91.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 171.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.49 -37.37 85.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.279 174.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.452 HD13 ' HB3' ' A' ' 27' ' ' GLN . 80.4 mt -66.47 -46.09 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.208 172.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.21 -41.22 60.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.193 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -69.95 -41.23 74.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 174.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.516 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -56.33 -26.31 52.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 56' ' ' SER . 13.5 t80 -98.64 -40.74 8.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -30.99 -54.63 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 166.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' A' ' 61' ' ' ARG . 37.6 t -62.57 -44.62 99.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 177.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.431 ' HB3' HG21 ' A' ' 20' ' ' ILE . 74.9 mt -89.17 -2.92 58.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -168.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 52' ' ' TYR . 88.0 p -113.3 -21.99 10.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 175.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 54.1 t0 -120.47 115.19 32.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.236 -173.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HA ' ' HB3' ' A' ' 61' ' ' ARG . 86.3 Cg_exo -59.0 -18.74 44.63 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.66 1.573 . . . . 0.0 111.177 -174.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -77.17 -25.19 51.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.203 -172.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.9 mptt -108.9 -10.47 15.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.204 172.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.441 ' HA ' HG13 ' A' ' 54' ' ' VAL . 15.9 tpt180 -67.96 -50.09 57.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 174.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -55.93 -39.89 72.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.271 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.3 mt -71.41 -69.72 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -175.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -39.22 -55.88 1.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 175.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -59.7 -44.5 93.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.232 -173.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -83.09 -23.73 32.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.206 -173.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -125.5 -65.84 0.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.201 -175.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.12 -151.56 20.3 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.4 mp0 -74.49 -42.73 58.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 0.0 111.21 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.79 -34.28 75.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.245 -173.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -84.1 -10.74 80.02 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.0 tp -98.53 -33.85 10.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 111.24 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -79.34 -39.39 32.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 174.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.78 46.97 3.54 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 -172.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 81.7 p -137.79 23.13 2.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.77 0.319 . . . . 0.0 111.122 -176.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.51 -176.77 50.56 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -177.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.82 158.37 38.3 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.719 1.613 . . . . 0.0 111.226 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 92.6 p -55.69 -39.47 71.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -114.33 47.68 1.02 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 169.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -143.05 -19.67 0.22 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.5 p -86.91 -178.17 6.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 111.156 -177.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -102.19 28.18 17.05 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 122.62 -23.66 7.03 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.15 75.13 0.64 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -149.69 49.75 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.83 0.348 . . . . 0.0 111.205 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -103.06 -10.66 18.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.66 -54.76 0.63 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.9 m -97.37 117.25 31.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.781 0.324 . . . . 0.0 111.214 176.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 72.3 m -104.1 138.98 39.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.206 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -79.07 145.17 33.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.222 175.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 83.7 p -64.17 161.17 16.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -44.92 144.6 1.15 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 172.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.73 ' O ' HG23 ' A' ' 93' ' ' THR . 11.7 t -71.17 74.68 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 -170.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -77.91 -3.9 44.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 -175.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -61.29 -56.03 25.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.25 168.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.5 88.23 0.01 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 162.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.404 ' C ' ' OD1' ' A' ' 97' ' ' ASP . 39.1 t0 -122.78 97.96 43.48 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.808 0.337 . . . . 0.0 111.231 -174.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.493 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 85.9 Cg_endo -77.79 49.06 2.82 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.71 1.606 . . . . 0.0 111.154 -179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -91.14 -18.86 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 160.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.88 -41.85 25.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.233 169.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 87.1 mtp -59.39 -40.68 87.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 168.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -62.96 -47.21 84.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 175.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.53 -33.93 60.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -76.17 -42.88 45.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 176.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -70.99 -55.2 8.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.232 -174.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -118.49 -33.73 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.237 -172.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 74.22 19.88 79.74 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 -177.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.84 59.53 3.43 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -153.87 159.84 41.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.781 0.324 . . . . 0.0 111.209 -175.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 . . . . . 0 C--O 1.199 -1.565 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.193 174.1 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.4 mmm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.815 0.341 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.99 79.64 0.61 Allowed Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -100.07 -30.39 11.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 111.197 -178.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -103.44 96.55 6.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.175 174.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.435 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 5.6 m-30 -61.98 -27.69 69.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -172.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -75.62 -32.21 60.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.159 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -71.21 -24.2 62.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 173.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.5 p -94.27 -27.54 16.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.193 -177.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.6 tp -82.58 -39.09 22.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.176 173.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.58 32.04 4.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 173.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.4 mt -130.57 174.15 10.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.27 160.53 21.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 166.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -66.23 -14.2 61.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.228 -175.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.2 20.99 13.59 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -174.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.89 172.78 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 111.183 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.5 p -100.12 160.48 14.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 -174.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -53.45 -43.23 67.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -62.42 -47.61 83.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.28 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -61.03 -40.21 92.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 84.3 mt -60.03 -43.23 92.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.194 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.41 -47.42 79.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -64.19 -52.97 56.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.98 -47.21 52.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.221 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ARG . 78.6 t80 -64.78 -59.34 4.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 -177.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' TYR . 15.0 ttm180 -26.47 -62.08 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.212 166.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -56.39 -42.88 78.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 -175.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -75.75 -43.85 44.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 -174.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.25 -34.66 76.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.195 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.9 mt -64.57 -38.93 92.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 169.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -61.35 -40.48 94.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -105.28 8.66 33.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.223 -176.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -51.18 139.84 23.99 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 169.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -52.13 -36.86 67.94 Favored 'Trans proline' 0 N--CA 1.458 -0.618 0 C-N-CA 121.73 1.62 . . . . 0.0 111.231 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -87.44 7.62 28.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -176.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -124.32 -33.83 3.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -175.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -146.84 126.23 13.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.22 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -129.05 85.11 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -139.24 140.62 26.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 -176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -72.69 127.15 12.07 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.716 1.611 . . . . 0.0 111.205 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.42 -39.93 2.7 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.29 87.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 0.0 111.254 167.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -54.52 -36.82 64.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.223 169.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -77.28 -37.54 52.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.232 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -56.64 -39.75 74.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.203 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.28 -37.99 89.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 174.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.6 mttt -65.21 -40.24 93.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 173.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -60.86 -31.63 71.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.159 173.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.5 mt -77.3 -38.98 27.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 173.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.494 ' HB1' ' HD2' ' A' ' 98' ' ' PRO . . . -50.06 -41.42 47.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.222 168.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -70.27 -40.34 74.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.185 172.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.87 -32.49 67.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.556 ' O ' ' N ' ' A' ' 56' ' ' SER . 44.5 t80 -97.1 -45.63 6.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.216 -175.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -35.18 -44.68 0.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.182 163.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 61' ' ' ARG . 41.3 t -65.1 -63.21 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 170.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.525 ' HA ' HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -72.36 -7.33 49.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.244 -167.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 52' ' ' TYR . 96.5 p -100.24 -16.12 17.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.218 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -134.15 116.24 13.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 -171.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -59.64 -14.92 28.53 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.742 1.628 . . . . 0.0 111.121 -173.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -76.41 -29.01 56.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.258 -170.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -112.16 -6.43 14.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.21 172.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.491 ' HA ' HG13 ' A' ' 54' ' ' VAL . 42.0 ttm180 -59.94 -55.99 27.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.218 173.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -54.35 -41.64 69.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.186 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 94.3 mt -65.18 -72.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.221 -170.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CE2' ' HB2' ' A' ' 5' ' ' TYR . 19.5 t80 -41.95 -53.62 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.216 176.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.67 -50.86 39.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -170.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -85.78 -32.99 21.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 -169.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -119.53 5.22 11.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 -168.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.47 170.32 46.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.9 pm0 -83.41 -20.97 33.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 111.175 178.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -62.12 -28.49 69.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.241 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.85 -9.28 85.64 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.5 tp -97.36 -30.6 12.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 111.206 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -86.99 -35.14 18.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.404 ' HA3' ' HA2' ' A' ' 82' ' ' GLY . . . 88.97 39.42 6.5 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -169.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.487 ' HA ' ' HA2' ' A' ' 79' ' ' GLY . 82.4 p -116.97 13.15 14.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.737 0.303 . . . . 0.0 111.139 -175.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -98.46 -117.47 3.79 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -171.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -54.17 -41.4 76.15 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.725 1.617 . . . . 0.0 111.209 -174.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.6 p -110.89 40.85 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 177.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.487 ' HA2' ' HA ' ' A' ' 75' ' ' SER . . . -37.22 117.91 0.5 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 178.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.25 -29.57 5.47 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.478 ' O ' ' C ' ' A' ' 82' ' ' GLY . 86.4 p -67.33 -27.74 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 111.196 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.478 ' C ' ' O ' ' A' ' 81' ' ' SER . . . 32.54 68.5 0.16 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 177.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.0 -106.1 1.47 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.05 8.99 42.7 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 178.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 86' ' ' ASN . . . -64.88 -32.27 73.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.763 0.316 . . . . 0.0 111.143 -178.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 95.6 m-20 68.62 -85.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.233 174.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -123.78 10.6 8.44 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.8 p -107.38 173.82 6.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.329 . . . . 0.0 111.178 -177.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.6 t -74.81 148.26 40.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.246 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -161.42 125.01 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -176.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.2 p -111.67 177.17 4.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.238 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -55.31 153.99 6.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 170.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 93' ' ' THR . 63.5 m -75.34 67.16 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -178.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -70.25 -21.4 62.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.11 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -57.83 -55.57 33.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.16 173.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.79 88.65 0.01 OUTLIER Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 167.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -119.88 111.24 35.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.171 -172.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.494 ' HD2' ' HB1' ' A' ' 49' ' ' ALA . 86.7 Cg_endo -75.66 49.1 2.34 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.698 1.598 . . . . 0.0 111.235 177.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -90.57 -17.53 26.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.207 164.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.18 -40.36 24.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.263 169.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 88.0 mtp -59.63 -45.01 93.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 167.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -57.85 -50.47 73.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.214 174.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.96 -34.49 63.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -74.35 -43.81 55.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -70.66 -57.42 4.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 -174.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -118.52 -29.17 5.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -168.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 74.17 28.19 64.7 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.67 35.28 80.21 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -137.79 158.28 44.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.348 . . . . 0.0 111.183 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.25 -176.755 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.8 mmm . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 63.6 -127.15 36.42 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -131.1 67.41 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.748 0.308 . . . . 0.0 111.183 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.5 p30 -73.16 -159.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.27 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.442 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 5.9 m-30 -66.62 -25.42 66.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.185 -168.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -77.5 -35.18 53.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.216 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -85.97 -17.88 34.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 174.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.9 m -79.51 -34.82 40.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 171.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.3 tp -77.6 -44.93 26.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 176.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.97 41.79 1.38 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.0 mt -136.67 177.84 7.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.339 . . . . 0.0 111.225 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.8 154.66 27.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 166.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.3 ptt-85 -63.95 -13.32 45.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.267 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.5 19.79 21.46 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.05 171.47 4.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.221 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.2 p -99.39 160.95 13.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.209 -174.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -55.03 -41.74 71.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -62.78 -48.25 79.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -60.61 -38.53 85.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.137 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.403 HG21 ' HB3' ' A' ' 55' ' ' LEU . 81.8 mt -62.62 -42.2 95.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.225 178.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.68 -45.27 87.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -63.12 -51.54 66.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.07 -42.87 69.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.172 174.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -61.01 -43.51 98.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.238 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.1 ttp180 -54.74 -47.93 73.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 174.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -55.42 -45.67 76.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -76.6 -40.53 49.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 -171.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.17 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 175.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.2 mt -68.28 -36.22 79.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.181 169.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -60.03 -41.76 92.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -106.27 5.68 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.256 -175.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 -49.68 138.35 17.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 174.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -52.1 -36.96 67.91 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.679 1.586 . . . . 0.0 111.158 -176.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -89.86 10.61 23.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.221 -176.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -124.44 -38.57 2.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -147.79 116.37 6.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -174.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -121.45 90.76 3.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.24 177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -146.15 125.07 6.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.205 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -55.52 128.73 31.63 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.736 1.624 . . . . 0.0 111.205 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.15 -44.68 1.58 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -177.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.35 80.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.186 167.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -54.91 -37.01 65.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.242 168.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -76.49 -37.04 57.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.268 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -56.24 -39.46 72.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 170.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.408 ' O ' ' HB ' ' A' ' 48' ' ' ILE . 1.4 t80 -61.53 -38.63 88.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 173.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.2 mttt -65.57 -37.58 87.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.272 173.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.34 -38.79 84.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.261 171.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.408 ' HB ' ' O ' ' A' ' 45' ' ' PHE . 28.3 mm -61.31 -42.66 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 174.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -49.06 -65.76 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 171.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -38.94 -48.6 1.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 170.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.43 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -62.59 -31.45 72.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.202 -174.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.616 ' O ' ' N ' ' A' ' 56' ' ' SER . 15.7 t80 -96.87 -43.55 7.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 49' ' ' ALA . 95.0 m-20 -33.22 -50.03 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 164.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.479 HG13 ' HA ' ' A' ' 61' ' ' ARG . 43.1 t -61.98 -49.24 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 173.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.403 ' HB3' HG21 ' A' ' 20' ' ' ILE . 75.0 mt -94.45 2.59 55.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 -166.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.616 ' N ' ' O ' ' A' ' 52' ' ' TYR . 95.9 p -112.28 -18.67 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 172.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -133.38 118.95 15.09 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 -172.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HA ' ' HB3' ' A' ' 61' ' ' ARG . 81.5 Cg_exo -58.24 -17.37 32.31 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.779 1.653 . . . . 0.0 111.244 -174.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -69.4 -33.74 73.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.246 -171.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.55 ' NZ ' ' OG1' ' A' ' 93' ' ' THR . 99.5 mttt -106.03 -11.76 16.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 174.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.479 ' HA ' HG13 ' A' ' 54' ' ' VAL . 16.7 tpt180 -57.16 -60.43 3.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.217 175.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -51.66 -41.44 61.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.9 mt -69.83 -66.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.176 -171.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -42.54 -54.08 4.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.45 -37.8 82.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.253 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -66.5 -53.92 29.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.244 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -115.69 -46.3 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.23 -176.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.65 -155.1 21.77 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -175.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.2 pm0 -84.52 -18.19 36.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 0.0 111.186 -173.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.409 ' HB3' ' H ' ' A' ' 76' ' ' GLY . 99.0 mt-10 -60.2 -27.86 67.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 176.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -78.18 -5.49 87.3 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.3 mt -109.47 -27.38 9.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 111.176 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.415 ' HG3' ' HA ' ' A' ' 91' ' ' SER . 87.9 tttt -81.5 -46.09 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.206 175.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 105.63 28.16 5.49 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -174.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.8 t -87.37 -53.16 4.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 111.214 -174.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' A' ' 70' ' ' GLU . . . -116.18 -103.15 2.35 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 175.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.61 169.35 1.23 Allowed 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.715 1.61 . . . . 0.0 111.173 171.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.0 t -149.96 120.25 7.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.257 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -106.27 -169.51 23.0 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 178.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 64.87 -123.04 25.75 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 177.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 94.5 p -119.36 -56.48 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.889 0.376 . . . . 0.0 111.195 -177.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.57 -119.21 15.75 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.26 -144.87 33.85 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.44 -17.56 64.41 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.77 -24.15 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.788 0.328 . . . . 0.0 111.256 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -72.81 -7.76 52.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.218 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -85.82 -0.11 87.71 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 174.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 60.4 p -114.65 -43.73 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 111.21 175.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 31.8 t -99.64 133.79 43.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -125.63 4.14 7.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.225 -172.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.415 ' HA ' ' HG3' ' A' ' 73' ' ' LYS . 21.8 t -136.89 -150.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -176.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -81.53 147.78 29.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.254 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.55 ' OG1' ' NZ ' ' A' ' 60' ' ' LYS . 67.8 p -68.07 73.35 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -79.75 65.89 5.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 96' ' ' GLY . 99.7 m-70 -131.48 -51.84 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 175.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 95' ' ' HIS . . . -23.11 105.22 0.01 OUTLIER Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 161.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -81.2 113.03 38.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 111.168 -171.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -74.16 -18.3 21.12 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.68 1.587 . . . . 0.0 111.233 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -77.17 -50.8 12.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 -173.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.43 -56.51 11.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.265 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 78.3 mtm -55.87 -55.72 29.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.472 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 41.4 t80 -63.82 -52.31 60.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.187 -174.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.98 -31.53 63.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -74.51 -44.29 51.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.243 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -72.21 -56.97 4.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -175.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -115.77 -30.21 6.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 -169.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.78 28.82 58.41 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 173.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.472 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . 69.85 36.9 74.8 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -135.74 154.36 51.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.77 0.319 . . . . 0.0 111.198 174.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 . . . . . 0 C--O 1.201 -1.498 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 -177.481 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.808 0.337 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.47 -147.62 31.49 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -132.39 62.99 1.63 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.805 0.336 . . . . 0.0 111.238 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.433 ' C ' ' OD1' ' A' ' 4' ' ' ASP . 27.9 p30 -78.65 -161.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.233 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.503 ' N ' ' CD1' ' A' ' 5' ' ' TYR . 3.3 m-30 -61.09 -33.69 73.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 -165.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -67.64 -30.58 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.216 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -86.5 -8.76 57.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.7 p -92.39 -26.29 18.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 169.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.6 mt -85.25 -27.16 26.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 170.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.48 31.5 16.03 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.5 mt -116.97 162.62 17.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.766 0.317 . . . . 0.0 111.233 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.81 151.56 28.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.225 166.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -49.42 -28.99 5.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.216 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.05 23.36 30.95 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -169.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.38 170.11 9.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.727 0.299 . . . . 0.0 111.208 177.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 87.9 p -94.82 157.4 15.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.5 -35.09 75.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.205 178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.81 -46.54 84.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 176.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.6 tp10 -68.77 -33.3 73.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.437 HG21 ' HB3' ' A' ' 55' ' ' LEU . 72.3 mt -60.78 -39.49 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 172.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.81 -37.15 85.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.176 175.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.06 -50.7 63.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 176.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.5 75.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -63.3 -45.46 91.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 176.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.2 ttp180 -51.88 -58.87 5.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 172.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -58.41 -41.49 85.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 -173.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -75.16 -37.27 61.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.194 -173.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.49 -30.36 70.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.208 172.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.18 -32.87 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.197 169.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -64.5 -35.42 80.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -111.68 10.05 21.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -177.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -49.85 139.67 16.48 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.265 169.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -52.1 -36.66 66.86 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.704 1.603 . . . . 0.0 111.224 -175.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -88.07 11.48 15.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -126.21 -38.45 2.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 -175.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -147.68 115.71 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 -175.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.65 32.74 5.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.235 175.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -81.11 131.79 58.39 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.22 -177.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -53.43 120.12 7.28 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.617 1.545 . . . . 0.0 111.248 176.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.77 -31.72 8.41 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.432 ' HA ' ' HB2' ' A' ' 44' ' ' LYS . . . -64.06 -31.47 72.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.848 0.356 . . . . 0.0 111.248 173.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -57.81 -41.01 81.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 170.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -71.75 -34.69 69.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.242 174.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.432 ' HB2' ' HA ' ' A' ' 41' ' ' ALA . 98.7 mttt -67.41 -26.3 66.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 173.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -71.16 -38.86 72.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 171.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 98.1 mttt -61.49 -38.79 88.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.239 171.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -57.98 -42.96 86.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 173.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.8 -42.73 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 172.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -48.07 -53.18 17.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.228 174.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 53' ' ' ASP . 34.8 tt0 -69.08 -30.94 69.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 178.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.67 -25.53 68.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.593 ' O ' ' N ' ' A' ' 56' ' ' SER . 32.3 t80 -104.32 -24.97 13.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.198 176.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.413 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 36.5 t0 -51.4 -51.52 54.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 165.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.425 ' HA ' ' HB2' ' A' ' 60' ' ' LYS . 45.0 t -52.12 -46.41 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.229 168.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.437 ' HB3' HG21 ' A' ' 20' ' ' ILE . 70.9 mt -101.09 0.33 37.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 -162.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.593 ' N ' ' O ' ' A' ' 52' ' ' TYR . 88.4 p -105.93 -33.51 7.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 168.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -104.22 114.33 64.42 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 173.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -54.71 -37.13 91.67 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.723 1.615 . . . . 0.0 111.233 -167.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -82.0 8.94 9.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 -161.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 54' ' ' VAL . 63.4 mttp -115.22 -5.57 12.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.242 172.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.422 ' HA ' HG13 ' A' ' 54' ' ' VAL . 78.8 ttt180 -89.66 -35.45 15.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.227 173.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.93 -12.06 22.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.175 168.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.4 mt -100.82 -57.38 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.17 170.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CD2' HG11 ' A' ' 54' ' ' VAL . 37.6 t80 -47.77 -59.47 3.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.177 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -63.09 -39.87 95.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.0 ttm-85 -61.04 -55.68 29.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 -177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -112.7 -47.56 3.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 -174.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 135.97 -154.04 21.71 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.8 pm0 -85.33 -16.78 38.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.85 0.357 . . . . 0.0 111.207 -175.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -61.87 -26.56 68.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.59 -3.61 88.98 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.0 mt -112.13 -21.55 11.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.844 0.355 . . . . 0.0 111.259 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -85.06 -37.65 20.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 170.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 102.54 31.07 5.35 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -174.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 79.5 p -122.05 14.01 10.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 111.15 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.36 -156.69 7.19 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -68.13 85.03 0.43 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.648 1.565 . . . . 0.0 111.249 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.5 t -135.71 106.54 6.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 177.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -95.5 -165.15 34.71 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 174.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 131.88 -150.25 19.52 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 98.4 p -102.46 -34.05 9.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 111.209 176.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 41.72 -115.98 0.92 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 174.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.4 -111.18 3.95 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 176.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.11 -28.42 70.59 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.99 -52.97 23.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 111.219 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -67.92 -21.56 65.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.215 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.71 -19.45 71.25 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 82.5 p -101.34 -37.47 8.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.78 0.324 . . . . 0.0 111.169 -178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.6 t -72.1 148.6 45.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.19 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -154.17 21.95 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.208 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.9 t -162.4 -159.75 0.6 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.241 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -66.79 142.18 57.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.233 176.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 97.9 m -62.41 80.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.25 177.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -90.35 55.24 2.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.25 167.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -71.68 -50.28 31.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -166.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -92.78 167.34 29.53 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 -166.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -86.27 114.57 58.12 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.835 0.35 . . . . 0.0 111.13 173.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.39 -16.8 21.69 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.74 1.626 . . . . 0.0 111.193 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -77.89 -38.64 45.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 -171.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.83 -54.55 45.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 78.8 mtm -54.82 -53.49 54.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.228 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.453 ' CE2' ' HA2' ' A' ' 108' ' ' GLY . 35.6 t80 -61.6 -52.39 64.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 -177.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.42 -37.55 70.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -68.89 -46.05 69.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -71.14 -58.92 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.237 -175.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -117.29 -23.09 7.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -165.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.16 38.19 87.73 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 169.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.453 ' HA2' ' CE2' ' A' ' 102' ' ' PHE . . . 64.98 30.47 78.09 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 174.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -139.99 161.64 37.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.324 . . . . 0.0 111.245 175.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.222 -176.88 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.9 mmm . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.793 0.33 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -67.06 126.85 26.76 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -118.27 -52.26 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.373 . . . . 0.0 111.227 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -59.19 116.86 4.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.195 -168.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.434 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 9.4 m-30 -56.42 -38.34 71.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -177.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -74.65 -35.01 62.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.221 -173.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -73.42 -16.36 61.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.199 176.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.5 p -96.34 -28.02 14.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.189 176.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.2 tp -78.47 -49.62 13.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 174.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.08 29.79 1.73 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.8 mt -128.91 170.48 13.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.156 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.24 158.72 26.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 166.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.1 ptt-85 -66.27 -13.43 60.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.201 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.51 21.23 24.14 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.5 171.37 5.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 111.21 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.9 p -102.71 160.96 14.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.183 -175.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -56.5 -40.45 74.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -63.42 -46.34 86.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.259 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -68.06 -34.49 76.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.235 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.487 HG21 ' HB3' ' A' ' 55' ' ' LEU . 78.5 mt -62.15 -39.58 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.234 175.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.19 -44.61 75.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -64.49 -56.07 16.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.225 177.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.69 -43.59 62.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.273 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -62.62 -42.36 99.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.24 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -56.22 -47.02 79.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.223 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -55.66 -46.29 77.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.189 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -75.74 -37.85 58.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.188 -173.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.58 88.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 174.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.1 mt -66.72 -35.63 80.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.227 170.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -61.05 -40.63 94.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.239 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.452 ' HB3' ' HB2' ' A' ' 45' ' ' PHE . 72.2 m-85 -106.59 4.41 28.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 -175.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -47.87 139.1 9.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.178 174.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -51.85 -36.71 64.24 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.727 1.618 . . . . 0.0 111.205 -176.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -85.2 8.78 17.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.235 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -126.59 -36.24 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.218 -176.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.407 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 43.7 t-20 -149.24 113.42 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.205 -175.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -119.01 97.3 5.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.237 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -156.54 133.69 6.58 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -71.03 129.94 17.03 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.736 1.624 . . . . 0.0 111.2 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.59 -5.9 82.3 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -171.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.18 -34.58 6.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.783 0.325 . . . . 0.0 111.164 171.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -60.68 -26.33 67.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 160.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -73.56 -38.34 65.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 172.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -58.66 -40.03 82.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 168.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.452 ' HB2' ' HB3' ' A' ' 31' ' ' TYR . 1.7 t80 -59.55 -40.88 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.237 172.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.05 -38.66 92.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.19 176.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.5 -39.27 87.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 173.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.6 mm -67.45 -45.09 86.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.212 173.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.458 ' HB1' ' HD2' ' A' ' 98' ' ' PRO . . . -49.76 -50.82 43.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.186 171.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 53' ' ' ASP . 44.6 tp10 -61.1 -46.61 89.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.163 -179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.434 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -44.93 -62.44 1.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.224 170.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.518 ' O ' ' N ' ' A' ' 56' ' ' SER . 18.8 t80 -64.82 -39.9 94.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.223 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' A' ' 50' ' ' GLU . 32.6 t70 -39.31 -52.17 2.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.204 171.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.458 HG13 ' HA ' ' A' ' 61' ' ' ARG . 45.2 t -62.01 -45.07 99.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.207 172.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' HB3' HG21 ' A' ' 20' ' ' ILE . 68.1 mt -89.09 5.39 44.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -167.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 52' ' ' TYR . 88.4 p -124.5 -33.01 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 172.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -106.53 114.78 61.66 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -174.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -59.28 -20.97 58.1 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.662 1.575 . . . . 0.0 111.253 -174.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -73.33 -25.52 60.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.239 -171.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -107.11 -10.93 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.173 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.458 ' HA ' HG13 ' A' ' 54' ' ' VAL . 79.9 ttt180 -61.15 -58.76 7.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.227 173.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.15 -38.92 63.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.13 -66.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 -175.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -42.07 -57.15 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 172.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -54.84 -44.29 73.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 -177.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -81.38 -25.97 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -171.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -127.22 -56.31 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.232 -173.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 128.2 -147.1 17.21 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 175.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.6 mp0 -79.13 -46.23 18.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.149 -178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -71.1 -23.97 62.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.34 0.27 88.55 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 tp -111.59 -21.19 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.767 0.318 . . . . 0.0 111.176 176.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -89.45 -31.31 17.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 171.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.4 31.79 6.32 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 -177.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 80.2 p -119.96 11.57 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 0.0 111.168 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -113.3 -102.88 2.57 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -173.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -52.7 -56.19 3.06 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.655 1.57 . . . . 0.0 111.208 -175.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 87.9 p -103.51 43.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.234 173.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -39.96 116.75 0.75 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 123.23 -31.02 4.82 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.0 p -75.82 -20.1 58.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 0.0 111.178 -177.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 54.98 53.43 40.13 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 -176.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 62.78 -112.31 4.83 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -166.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -101.91 10.6 57.23 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.34 -22.02 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.763 0.316 . . . . 0.0 111.164 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 65.97 -88.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.211 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.89 10.25 8.95 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -177.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 68.3 p -106.21 174.09 6.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 111.204 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 86.6 p -74.06 159.48 32.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.248 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -170.11 108.04 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.6 p -94.33 176.55 6.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.257 171.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -52.71 149.67 5.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.257 170.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 93' ' ' THR . 86.5 m -71.8 69.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.25 -177.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -78.03 -21.95 49.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -57.93 -59.94 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 174.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -55.15 88.65 0.01 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 165.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -118.76 112.21 37.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 120.808 0.337 . . . . 0.0 111.174 -172.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.458 ' HD2' ' HB1' ' A' ' 49' ' ' ALA . 86.9 Cg_endo -75.62 48.15 2.08 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.632 1.554 . . . . 0.0 111.206 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -92.3 -23.74 19.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 167.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.71 -49.5 58.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 170.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 74.3 mtm -61.54 -35.3 77.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 174.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.94 -48.89 79.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 172.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.12 -32.5 62.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -76.16 -42.87 45.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.202 176.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -70.42 -56.92 5.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.275 -175.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -117.33 -29.56 5.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.265 -170.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 76.37 27.29 61.86 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 67.8 35.41 85.11 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -137.25 157.72 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.872 0.367 . . . . 0.0 111.173 174.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 . . . . . 0 C--O 1.2 -1.521 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.232 -176.464 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mtp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.802 0.334 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -110.22 142.77 16.67 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 177.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -92.45 65.31 4.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.798 0.333 . . . . 0.0 111.217 -174.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -76.62 99.22 4.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.213 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.511 ' CD2' ' HA ' ' A' ' 51' ' ' ALA . 8.5 m-30 -53.09 -40.93 64.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 -174.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.401 ' CD1' ' HG2' ' A' ' 13' ' ' ARG . 46.8 m-85 -71.53 -27.95 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.239 -176.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -69.86 -26.54 64.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.218 172.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.8 p -89.59 -25.84 21.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.254 -178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.456 ' HA ' ' HG3' ' A' ' 27' ' ' GLN . 80.4 mt -78.4 -35.06 47.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.227 170.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.47 47.11 3.85 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.426 HD23 ' H ' ' A' ' 11' ' ' LEU . 1.3 pt? -148.81 175.84 10.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 111.183 175.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.72 143.32 42.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.221 -179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HG2' ' CD1' ' A' ' 6' ' ' TYR . 99.6 mtt180 -56.15 -24.69 42.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.255 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -105.96 22.66 31.13 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -175.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.09 174.45 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 111.15 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.1 p -98.57 163.89 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -52.69 -43.32 65.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -62.86 -47.67 82.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -62.94 -35.51 80.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.0 mt -62.35 -43.4 98.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 174.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -63.49 -42.95 98.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.18 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.4 mtt-85 -64.96 -52.57 55.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.22 177.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.52 -43.29 71.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.252 177.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.511 ' OH ' ' O ' ' A' ' 98' ' ' PRO . 51.1 t80 -64.39 -46.14 84.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.205 -179.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -53.98 -48.89 69.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 177.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -51.65 -44.44 63.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.166 176.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.456 ' HG3' ' HA ' ' A' ' 9' ' ' LEU . 54.3 mm-40 -71.07 -46.55 61.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 -174.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.21 -33.0 74.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.54 -37.0 84.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 170.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.79 -41.09 96.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.25 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.406 ' HA ' ' HB3' ' A' ' 36' ' ' ASN . 93.6 m-85 -104.37 9.08 35.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.256 -174.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -50.65 139.75 20.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.183 166.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.41 -36.44 69.4 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.603 1.535 . . . . 0.0 111.244 -175.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -88.65 9.09 25.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -126.09 -30.8 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.215 -174.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 31' ' ' TYR . 23.1 t-20 -148.18 125.39 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 176.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -126.77 85.36 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.2 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -138.94 140.73 27.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -177.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.15 130.44 16.48 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.648 1.565 . . . . 0.0 111.197 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.8 -41.59 2.62 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -176.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.9 -37.74 77.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.707 0.289 . . . . 0.0 111.178 171.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -53.99 -35.17 61.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.229 170.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -82.14 -33.93 29.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.5 -35.0 77.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.184 173.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -65.74 -43.01 90.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.2 173.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -58.1 -38.44 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.215 173.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -64.98 -45.24 86.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 174.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.454 ' O ' ' HB3' ' A' ' 51' ' ' ALA . 83.1 mt -64.47 -23.36 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 174.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.48 ' HB1' ' HD2' ' A' ' 98' ' ' PRO . . . -75.73 -31.39 59.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.204 174.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -66.88 -36.24 81.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.184 171.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.511 ' HA ' ' CD2' ' A' ' 5' ' ' TYR . . . -49.53 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.224 170.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.558 ' O ' ' N ' ' A' ' 56' ' ' SER . 11.9 t80 -62.1 -39.26 91.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.251 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -41.48 -53.23 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 170.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.496 HG13 ' HA ' ' A' ' 61' ' ' ARG . 50.3 t -59.33 -45.04 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 173.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.2 mt -90.92 -8.07 50.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.203 -164.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.558 ' N ' ' O ' ' A' ' 52' ' ' TYR . 98.0 p -109.29 -31.69 7.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.225 174.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 45.5 t0 -110.57 116.51 52.43 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.19 -173.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 85.6 Cg_exo -59.24 -18.77 46.62 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 121.665 1.577 . . . . 0.0 111.216 -174.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -76.82 -26.09 54.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -171.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -107.96 -11.06 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.246 171.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.496 ' HA ' HG13 ' A' ' 54' ' ' VAL . 39.9 ttm180 -60.78 -55.97 26.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.198 172.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -52.72 -43.58 65.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 96.8 mt -68.88 -69.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.171 -172.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -41.7 -57.84 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 173.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -55.21 -43.51 74.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 -176.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -68.63 -55.86 10.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.202 -173.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -111.43 -45.54 3.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.268 -174.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.24 -152.2 19.67 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.4 mp0 -77.85 -35.91 50.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 -173.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.61 -29.94 70.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.258 -175.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.53 -7.93 87.61 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -178.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 39.4 tp -104.37 -30.14 10.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.802 0.334 . . . . 0.0 111.215 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -85.12 -35.0 22.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 174.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.88 37.04 5.07 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -176.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.9 p -125.34 20.91 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.763 0.316 . . . . 0.0 111.154 -173.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.56 -150.6 3.48 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -54.95 -34.42 86.36 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.654 1.57 . . . . 0.0 111.216 -176.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 85.7 p -105.01 43.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.203 175.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.34 124.14 13.52 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.91 -36.34 3.88 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.507 ' O ' ' C ' ' A' ' 82' ' ' GLY . 90.7 p -65.9 -29.64 70.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.794 0.331 . . . . 0.0 111.199 176.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.507 ' C ' ' O ' ' A' ' 81' ' ' SER . . . 28.96 70.82 0.06 OUTLIER Glycine 0 CA--C 1.522 0.502 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 178.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.65 -85.07 0.11 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -130.06 18.87 5.26 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.46 -28.45 65.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.816 0.341 . . . . 0.0 111.185 177.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 68.74 -84.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 172.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -122.86 11.27 8.83 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -177.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.0 m -96.83 134.56 39.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 111.224 -175.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 93.1 p -73.94 154.88 39.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -168.11 119.76 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 -172.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.3 p -87.05 175.6 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.243 171.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -47.32 144.01 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.186 172.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.716 ' O ' HG23 ' A' ' 93' ' ' THR . 12.7 t -74.47 69.23 1.65 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.197 -177.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -68.87 -12.53 61.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.201 -173.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -54.3 -54.78 35.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 166.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -54.86 87.51 0.01 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 165.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -129.17 102.06 19.04 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.709 0.29 . . . . 0.0 111.214 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.511 ' O ' ' OH ' ' A' ' 24' ' ' TYR . 83.4 Cg_endo -76.34 48.65 2.39 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.714 1.609 . . . . 0.0 111.159 178.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -90.88 -17.63 26.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 164.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.67 -39.81 26.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.211 169.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 89.9 mtp -59.62 -45.91 90.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.199 167.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -56.67 -49.94 73.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.252 174.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.22 -34.46 60.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -75.45 -41.7 55.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 177.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -73.19 -57.85 3.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.241 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -114.43 -29.31 6.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.205 -170.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 72.64 30.74 63.65 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 66.78 37.32 92.25 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -137.61 175.08 9.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 0.0 111.179 173.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 176.907 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.2 mtp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.834 0.35 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.84 154.98 16.59 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -91.3 68.89 5.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -85.93 101.75 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.213 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.46 ' CG ' ' HA ' ' A' ' 51' ' ' ALA . 6.9 m-30 -53.84 -39.47 65.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.227 -172.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -76.11 -30.49 58.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -174.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -72.76 -29.59 63.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 170.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.7 m -75.28 -37.24 61.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.1 mt -78.26 -30.78 48.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.223 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.15 50.33 2.45 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 174.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 11' ' ' LEU . 2.2 pt? -157.06 179.47 9.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 111.21 175.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.96 148.9 36.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 -176.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.93 -18.85 65.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.193 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -107.8 20.78 31.08 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -176.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.13 -176.11 2.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.77 0.319 . . . . 0.0 111.173 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.1 p -104.93 165.58 10.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -176.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -61.68 -32.43 72.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.92 -46.79 76.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 176.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -68.03 -31.77 71.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.437 HG21 ' HG ' ' A' ' 55' ' ' LEU . 79.3 mt -65.02 -40.44 89.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.154 173.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.75 -45.48 92.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -63.1 -49.14 75.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.208 174.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.13 -44.26 15.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 176.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -74.66 -49.51 21.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -36.14 -53.69 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.189 170.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -59.88 -57.1 14.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.181 177.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -66.51 -38.04 86.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.184 -168.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.22 91.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.267 176.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.6 -37.85 88.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 172.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -62.75 -42.26 99.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 -177.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -106.15 7.17 31.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.287 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 66.2 t-80 -48.8 139.34 11.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 169.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -52.47 -36.62 70.75 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.677 1.585 . . . . 0.0 111.223 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -87.25 9.21 20.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -127.45 -29.59 2.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.215 -176.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -148.04 122.29 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -126.0 88.13 2.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -150.61 132.5 7.88 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -178.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -69.54 134.06 27.52 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.713 1.608 . . . . 0.0 111.171 177.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.07 -44.93 1.84 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -174.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.36 -35.79 80.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 111.179 162.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -51.68 -36.66 47.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.267 166.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -82.2 -30.9 30.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -66.35 -30.73 71.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 172.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -73.87 -35.38 64.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.216 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 97.7 mttt -62.08 -36.74 82.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.209 168.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.45 -43.33 99.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.198 173.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.52 -46.97 95.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 173.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 46' ' ' LYS . . . -41.06 -76.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.229 172.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -45.48 -34.88 3.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.46 ' HA ' ' CG ' ' A' ' 5' ' ' TYR . . . -68.01 -27.98 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.247 -175.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.532 ' O ' ' C ' ' A' ' 53' ' ' ASP . 61.1 t80 -105.0 -46.34 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.204 174.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.532 ' C ' ' O ' ' A' ' 52' ' ' TYR . 37.5 t70 -23.68 -55.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 175.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.468 HG23 HD22 ' A' ' 55' ' ' LEU . 8.7 m -78.1 -25.92 14.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.226 -171.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 52' ' ' TYR . 1.8 mm? -73.94 -31.95 63.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 171.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.418 ' HB3' ' CE2' ' A' ' 52' ' ' TYR . 81.3 p -83.96 -15.65 47.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 174.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -121.87 101.76 41.95 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 -177.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -65.03 -8.59 18.72 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.72 1.614 . . . . 0.0 111.154 -169.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -76.34 -40.96 49.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.211 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 63' ' ' ILE . 96.1 mttt -85.74 -39.57 17.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.22 178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.1 ttm-85 -26.57 -47.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.212 159.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' A' ' 66' ' ' ARG . 71.6 mm-40 -68.05 -27.15 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.268 -175.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 60' ' ' LYS . 96.8 mt -82.18 -67.81 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 168.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -49.44 -70.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.249 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.21 -42.73 99.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.225 -168.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 60.7 ttm-85 -64.14 -55.98 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -106.44 -57.2 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -170.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 147.84 -169.07 28.68 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 32.0 mp0 -79.68 -32.39 41.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 111.201 -172.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -61.39 -26.72 68.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 -177.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.47 -7.5 87.46 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 38.0 tp -102.6 -27.54 12.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 0.0 111.192 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -89.01 -34.83 16.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.211 172.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.58 39.78 6.58 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -171.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.447 ' HA ' ' HA2' ' A' ' 79' ' ' GLY . 82.8 p -118.2 12.3 13.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 111.204 -176.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -94.01 -125.91 4.33 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 -172.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -54.46 -38.95 89.75 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.727 1.618 . . . . 0.0 111.234 -174.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 79.5 p -108.74 39.05 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.259 174.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' A' ' 75' ' ' SER . . . -50.98 133.48 32.37 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -177.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.57 -27.22 8.52 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.2 p -74.86 -27.68 60.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.74 0.305 . . . . 0.0 111.22 176.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 54.18 57.23 17.62 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 173.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.48 -107.26 1.64 Allowed Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -168.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -107.21 10.43 39.77 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 86' ' ' ASN . . . -66.03 -28.89 69.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 111.267 -178.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 85' ' ' ALA . 96.1 m-20 67.96 -85.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.185 175.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -121.51 12.5 9.53 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.7 m -99.63 143.31 30.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 111.16 -173.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.4 t -59.14 141.39 54.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 173.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -158.79 122.36 3.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -163.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.6 p -108.15 168.36 9.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.165 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -47.55 140.72 5.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.178 169.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 93' ' ' THR . 53.1 m -62.42 77.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.246 172.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -75.13 -13.79 60.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.194 172.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -49.3 -51.85 31.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.227 173.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.05 87.5 0.01 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 161.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -109.9 111.25 58.73 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 111.2 -173.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -84.49 20.95 1.14 Allowed 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.692 1.595 . . . . 0.0 111.172 -177.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -88.63 -34.25 17.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 174.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.79 -50.94 72.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.254 166.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 76.7 mtm -60.82 -38.4 85.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.235 175.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -59.73 -47.79 84.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.185 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.52 -33.74 64.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -75.26 -42.61 54.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.18 177.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -69.8 -56.02 8.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 -177.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -118.39 -31.43 4.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.181 -169.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 79.81 29.24 48.23 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.59 27.19 71.57 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -124.07 162.69 22.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.849 0.357 . . . . 0.0 111.187 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 . . . . . 0 C--O 1.201 -1.476 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 178.352 . . . . . . . . 0 0 . 1 stop_ save_