data_2kfx_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2kfx _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 33.4 mtp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 49.56 47.13 23.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 3' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' T' ' 5' ' ' TYR . 11.4 m-20 -80.72 -51.68 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.644 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 4' ' ' ILE . . . . . 0.545 ' N ' ' CD1' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.06 -15.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.185 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' T' T ' 5' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' T' ' 3' ' ' ASP . 58.8 m-85 -88.39 -45.99 9.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.776 0.322 . . . . 0.0 110.454 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -62.13 -23.98 66.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.47 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.17 80.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.14 -33.87 50.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.25 -28.37 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -72.65 -22.69 60.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -78.3 -29.62 47.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.591 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.39 123.66 22.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.6 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -74.93 -128.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.414 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -132.19 -19.67 2.49 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 15' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.78 -39.19 70.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.436 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 16' ' ' GLN . . . . . 0.427 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -78.98 -13.26 59.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.469 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' T' T ' 17' ' ' LYS . . . . . 0.427 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 72.3 tttt -74.33 -48.76 26.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -59.3 -17.02 25.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.6 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -73.59 -43.04 60.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.527 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 20' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' T' ' 23' ' ' ALA . 80.6 m-85 -74.93 -55.96 5.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.512 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -44.8 -36.57 3.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.706 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.08 70.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.466 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 23' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -67.39 -49.39 64.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -45.65 -53.39 9.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.467 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -43.1 -45.2 5.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.646 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 26' ' ' ILE . . . . . 0.402 HG23 HD12 ' T' ' 26' ' ' ILE . 11.3 mm -63.43 -52.01 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.582 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 27' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -60.8 -20.74 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.689 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 4.3 m -149.92 72.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.415 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.24 22.57 7.55 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.583 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -169.8 3.32 0.04 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.25 158.15 29.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.765 0.316 . . . . 0.0 110.609 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -56.29 -82.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.476 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 33' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 4.6 p-10 -78.78 -69.56 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.502 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 34' ' ' GLY . . . . . 0.521 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 159.11 30.55 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 59.8 p -80.94 118.95 22.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.815 0.34 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mt -83.86 154.74 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.571 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 37' ' ' SER . . . . . 0.511 ' C ' ' H ' ' T' ' 39' ' ' LYS . 23.0 t -157.42 166.75 32.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 5.3 p -51.84 -8.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.77 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 39' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' T' ' 37' ' ' SER . 83.7 mttt -78.18 -58.74 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.82 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -84.83 0.83 49.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.88 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 41' ' ' LEU . . . . . 0.464 ' C ' ' H ' ' T' ' 43' ' ' LYS . 0.2 OUTLIER -73.91 -65.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.287 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.32 -7.63 1.36 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 43' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' T' ' 41' ' ' LEU . 85.2 tttt -74.77 -42.33 58.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 0.0 110.572 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 44' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.04 -44.11 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 16.5 mmt -59.31 -12.23 5.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.558 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -73.99 -42.57 60.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.586 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 69.7 mtm -60.05 -28.41 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.589 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 48' ' ' LEU . . . . . 0.534 ' CD1' ' N ' ' T' ' 48' ' ' LEU . 7.2 mp -74.47 -78.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.377 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 49' ' ' GLY . . . . . 0.424 ' O ' ' OE1' ' T' ' 50' ' ' GLN . . . 170.68 32.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 50' ' ' GLN . . . . . 0.424 ' OE1' ' O ' ' T' ' 49' ' ' GLY . 28.5 mm100 -136.83 164.46 28.24 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 110.312 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -173.29 61.94 0.27 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.646 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -77.01 -178.6 4.7 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.702 2.268 . . . . 0.0 112.044 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.32 153.14 79.24 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.22 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -67.98 -8.78 23.65 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.287 1.991 . . . . 0.0 111.777 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -80.59 -32.56 36.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.482 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -79.96 -46.81 16.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.658 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 22.9 mt -55.92 -41.87 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.678 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -45.89 -30.96 1.91 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.481 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -61.09 -33.16 72.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.559 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 56.1 mmm -75.04 -29.62 60.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.665 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 61' ' ' ILE . . . . . 0.46 ' N ' ' CD1' ' T' ' 61' ' ' ILE . 2.0 mp -89.99 -19.9 7.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -78.58 -19.84 51.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.186 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.36 -36.3 34.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.88 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 64' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' T' ' 66' ' ' GLU . 8.5 m -88.19 -32.96 6.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.888 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 65' ' ' ASP . . . . . 0.453 ' C ' ' H ' ' T' ' 67' ' ' ASP . 15.6 m-20 -58.75 78.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.51 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 66' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' T' ' 64' ' ' VAL . 66.8 mm-40 -79.77 33.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.22 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 67' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' T' ' 65' ' ' ASP . 14.1 p-10 -155.84 8.09 0.24 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.564 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.63 81.6 0.03 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 75.7 p -144.37 -7.56 0.69 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.723 0.297 . . . . 0.0 110.638 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 60.01 54.18 39.56 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 44.3 p -153.06 170.99 19.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.768 0.318 . . . . 0.0 110.458 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 89.9 t -145.76 85.33 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 73' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' T' ' 75' ' ' ASP . 11.7 p30 -81.3 164.64 22.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.354 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -53.97 -6.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.786 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 75' ' ' ASP . . . . . 0.514 ' H ' ' C ' ' T' ' 73' ' ' ASP . 63.3 m-20 -80.36 -93.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.87 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -47.67 -12.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 77' ' ' PHE . . . . . 0.5 ' H ' ' C ' ' T' ' 75' ' ' ASP . 79.0 t80 -63.28 -58.67 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.548 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 46.0 mt -47.95 -43.41 29.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.398 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 46.4 t -51.46 -49.32 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 26.8 ttm -46.81 -56.62 5.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.547 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 81' ' ' MET . . . . . 0.543 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -59.07 -58.83 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.638 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 86.5 t -43.64 -41.47 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.851 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -64.89 -72.01 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.544 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 24.9 m -46.12 -33.89 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.662 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 18.8 mmt -68.26 -74.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.636 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -53.0 -20.37 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.664 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -160.42 103.79 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -78.78 148.88 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.574 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 37.3 mtp . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.95 52.69 14.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.581 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 3' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' T' ' 5' ' ' TYR . 66.6 m-20 -79.97 -55.22 5.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 4' ' ' ILE . . . . . 0.534 ' N ' ' CD1' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.03 -15.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 -179.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' T' T ' 5' ' ' TYR . . . . . 0.525 ' N ' ' O ' ' T' ' 3' ' ' ASP . 57.3 m-85 -89.96 -46.49 8.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.818 0.342 . . . . 0.0 110.467 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -57.41 -40.38 78.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.531 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.83 -31.76 63.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.615 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.51 -39.62 52.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.611 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.19 -22.95 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.566 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -78.24 -25.38 46.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.674 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -75.66 -20.58 58.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.563 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -76.85 118.83 19.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 13' ' ' THR . . . . . . . . . . . . . 3.8 m -62.98 -127.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -139.44 -32.13 0.66 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.781 0.324 . . . . 0.0 110.317 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -67.45 -33.62 75.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.425 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -10.33 59.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -83.07 -12.12 57.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.601 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 18' ' ' ASN . . . . . 0.526 ' N ' HD21 ' T' ' 18' ' ' ASN . 1.0 OUTLIER -67.72 -64.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.926 -179.809 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' T' T ' 19' ' ' GLU . . . . . 0.499 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.0 pm0 -40.49 -42.97 1.74 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.046 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 20' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' T' ' 23' ' ' ALA . 45.1 m-85 -62.87 -67.34 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.443 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -46.8 -36.57 7.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.412 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.0 -29.39 68.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.39 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 23' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -61.82 -53.74 51.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.408 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 24' ' ' PHE . . . . . 0.521 ' O ' ' N ' ' T' ' 27' ' ' PHE . 60.1 m-85 -44.06 -52.9 6.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -43.78 -30.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.639 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 26' ' ' ILE . . . . . 0.402 HD12 HG23 ' T' ' 26' ' ' ILE . 10.6 mm -81.19 -29.69 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.574 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 27' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' T' ' 24' ' ' PHE . 76.3 m-85 -85.12 -64.54 1.14 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.443 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 28' ' ' VAL . . . . . 0.435 ' C ' ' H ' ' T' ' 30' ' ' GLY . 31.4 m -79.52 48.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.71 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.37 31.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.613 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 30' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' T' ' 28' ' ' VAL . . . 173.83 -18.15 0.05 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.02 137.86 57.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 110.65 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.65 -87.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.522 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 33' ' ' ASP . . . . . 0.529 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 3.0 p-10 -49.99 -72.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.495 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 34' ' ' GLY . . . . . 0.529 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 158.32 29.53 0.02 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 88.8 p -86.45 159.52 19.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.819 0.342 . . . . 0.0 110.706 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 76.6 mt -133.56 88.97 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.486 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 37' ' ' SER . . . . . 0.627 ' HG ' ' H ' ' T' ' 38' ' ' THR . 23.2 t -82.65 -159.42 0.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.481 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 38' ' ' THR . . . . . 0.627 ' H ' ' HG ' ' T' ' 37' ' ' SER . 20.8 p -80.14 -1.89 42.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 39' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -83.83 -53.56 5.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -79.32 1.73 24.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.785 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.57 -66.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.282 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -45.9 -44.59 13.48 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -44.25 -44.79 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.663 0.268 . . . . 0.0 110.847 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 44' ' ' VAL . . . . . 0.493 ' C ' ' H ' ' T' ' 46' ' ' ARG . 91.2 t -77.25 -58.38 4.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.73 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 22.3 mmt -49.3 -13.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.528 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 46' ' ' ARG . . . . . 0.493 ' H ' ' C ' ' T' ' 44' ' ' VAL . 77.7 ttt180 -75.02 -33.29 61.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.614 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 26.1 mtt -63.61 -39.54 94.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.607 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 48' ' ' LEU . . . . . 0.497 ' CD1' ' N ' ' T' ' 48' ' ' LEU . 8.3 mp -64.41 -77.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.343 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 49' ' ' GLY . . . . . 0.427 ' O ' ' OE1' ' T' ' 50' ' ' GLN . . . 169.17 33.8 0.02 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 50' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' T' ' 49' ' ' GLY . 28.6 mm100 -138.33 150.18 46.35 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -161.6 59.76 1.09 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.14 -170.47 0.79 Allowed 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.744 2.296 . . . . 0.0 111.923 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.76 152.3 80.23 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.234 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.48 -6.31 18.65 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.211 1.94 . . . . 0.0 111.824 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -81.29 -38.38 26.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.606 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -78.62 -29.38 45.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.649 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.56 -31.09 69.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.478 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 58' ' ' GLN . . . . . 0.411 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.3 tp-100 -61.15 -26.44 67.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.473 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.7 -22.67 64.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.517 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 59.4 mmm -82.01 -28.3 32.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.694 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 61' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' T' ' 61' ' ' ILE . 1.8 mp -90.63 -27.88 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.396 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.09 -21.42 64.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.308 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -79.25 -39.44 33.06 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.9 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 64' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' T' ' 66' ' ' GLU . 5.5 m -87.51 -14.83 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.758 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 65' ' ' ASP . . . . . 0.488 ' C ' ' H ' ' T' ' 67' ' ' ASP . 48.8 m-20 -62.49 72.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.754 0.312 . . . . 0.0 110.363 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 66' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' T' ' 64' ' ' VAL . 55.5 mm-40 -77.37 22.61 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.21 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 67' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' T' ' 65' ' ' ASP . 11.0 p30 -156.29 9.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.449 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.33 84.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 86.6 p -149.98 -5.76 0.34 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.666 0.27 . . . . 0.0 110.662 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.17 51.28 47.7 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 17.7 p -151.55 121.96 7.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.735 0.303 . . . . 0.0 110.513 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 38.8 t -87.57 73.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 73' ' ' ASP . . . . . 0.488 ' C ' ' H ' ' T' ' 75' ' ' ASP . 3.5 p30 -66.79 162.3 21.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.399 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 74' ' ' PHE . . . . . 0.443 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 57.3 t80 -63.26 1.84 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 75' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' T' ' 73' ' ' ASP . 6.7 m-20 -89.61 -73.56 0.51 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.818 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -66.2 -8.48 24.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.923 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 77' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' T' ' 80' ' ' MET . 87.5 t80 -66.57 -60.3 2.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.525 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 42.4 mt -46.72 -28.74 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.451 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.92 -30.27 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.45 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 80' ' ' MET . . . . . 0.476 ' N ' ' O ' ' T' ' 77' ' ' PHE . 31.5 ttm -54.77 -35.21 63.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.564 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' T' T ' 81' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -79.81 -58.35 3.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.629 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 56.2 t -44.14 -30.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.806 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -76.1 -76.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.59 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 48.8 m -46.39 -25.4 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 10.2 mmt -78.33 -75.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -57.46 -12.94 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -158.49 94.21 1.25 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.584 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -78.96 106.57 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 22.3 p . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.521 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 27.4 mtt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 51.14 39.03 22.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' T' ' 5' ' ' TYR . 4.8 m-20 -79.68 -48.17 14.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.659 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 4' ' ' ILE . . . . . 0.547 ' N ' ' CD1' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.09 -15.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.204 -179.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' T' T ' 5' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' T' ' 3' ' ' ASP . 60.5 m-85 -87.57 -65.47 1.01 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.456 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -47.3 -21.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.502 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.26 -40.12 86.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.561 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.65 -15.79 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 62.3 t -76.22 -25.88 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -71.26 -19.4 62.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.545 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -78.05 -29.93 49.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 mt -72.17 119.41 16.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.534 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 13' ' ' THR . . . . . . . . . . . . . 17.8 m -80.71 156.35 26.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.532 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.82 61.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.434 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 15' ' ' GLU . . . . . 0.416 ' O ' ' OE2' ' T' ' 19' ' ' GLU . 34.2 mt-10 -152.1 -40.05 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.462 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.37 6.5 16.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.565 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -97.22 -37.88 9.91 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.468 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 18' ' ' ASN . . . . . 0.576 ' H ' HD21 ' T' ' 18' ' ' ASN . 1.3 m-80 -45.26 -28.07 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.903 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 19' ' ' GLU . . . . . 0.483 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.3 pm0 -78.45 -48.73 14.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.219 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -64.08 -52.43 59.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.425 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -55.13 -27.13 43.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.79 -29.05 58.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.452 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.79 -52.18 66.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.477 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -44.22 -51.03 8.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.606 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 25' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' T' ' 25' ' ' ASP . 2.2 m-20 -46.69 -37.29 8.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.47 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 26' ' ' ILE . . . . . 0.424 HD12 HG23 ' T' ' 26' ' ' ILE . 12.1 mm -71.35 -34.1 52.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.534 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 27' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -77.85 -66.12 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.285 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 12.4 m -81.1 56.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.581 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.42 25.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.449 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 178.1 -17.13 0.03 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.74 130.76 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.469 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -50.48 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.666 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 33' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 10.1 p30 -79.29 -103.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.533 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 34' ' ' GLY . . . . . 0.521 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . -165.24 81.85 0.11 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 43.3 p -145.38 114.05 6.79 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.834 0.349 . . . . 0.0 110.444 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -84.19 100.93 8.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.678 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 37' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' T' ' 38' ' ' THR . 41.2 t -86.52 -168.47 2.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.495 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 38' ' ' THR . . . . . 0.473 ' N ' ' OG ' ' T' ' 37' ' ' SER . 21.8 p -80.02 -5.89 56.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.644 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 39' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -82.11 -52.01 7.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.827 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -79.97 0.56 31.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -71.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.413 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 42' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' T' ' 46' ' ' ARG . . . -49.42 -46.52 36.35 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -43.36 -42.91 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.945 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 44' ' ' VAL . . . . . . . . . . . . . 92.5 t -77.45 -46.11 28.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.696 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 58.8 mtp -72.69 1.1 9.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.644 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 46' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' T' ' 42' ' ' GLY . 66.4 ttt180 -78.83 -32.44 46.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.586 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 61.0 mtm -65.7 -35.35 80.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.646 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 48' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' T' ' 48' ' ' LEU . 8.4 mp -62.83 -76.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.331 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 49' ' ' GLY . . . . . 0.411 ' O ' ' OE1' ' T' ' 50' ' ' GLN . . . 165.5 52.33 0.02 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 50' ' ' GLN . . . . . 0.411 ' OE1' ' O ' ' T' ' 49' ' ' GLY . 17.7 mm100 -140.65 153.65 46.09 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 110.267 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -162.12 60.02 1.05 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.713 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -76.44 -174.91 2.3 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.835 2.357 . . . . 0.0 111.96 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 53' ' ' THR . . . . . 0.488 ' C ' ' H ' ' T' ' 55' ' ' GLU . 0.1 OUTLIER -80.71 152.13 71.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.229 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -71.95 32.69 0.26 Allowed 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.263 1.975 . . . . 0.0 111.822 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 55' ' ' GLU . . . . . 0.488 ' H ' ' C ' ' T' ' 53' ' ' THR . 41.1 tt0 -131.3 -27.02 2.03 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.471 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -79.01 -16.7 56.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.457 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 57' ' ' LEU . . . . . 0.436 ' C ' ' N ' ' T' ' 59' ' ' GLU . 40.8 mt -75.72 -52.41 10.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 58' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -46.16 -18.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.429 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 59' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' T' ' 57' ' ' LEU . 30.2 mt-10 -70.81 -36.01 72.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 63.0 mmm -74.14 -37.55 64.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 61' ' ' ILE . . . . . 0.479 ' N ' ' CD1' ' T' ' 61' ' ' ILE . 2.0 mp -76.51 -19.53 14.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -69.63 -63.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.128 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -42.27 -45.86 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.262 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 64' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' T' ' 66' ' ' GLU . 31.6 m -74.28 -44.53 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.043 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 65' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' T' ' 71' ' ' THR . 12.8 m-20 -58.9 79.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.631 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 66' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' T' ' 64' ' ' VAL . 62.4 mm-40 -72.42 -25.18 61.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.147 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 67' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -87.05 -7.37 58.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.533 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 57.9 81.76 0.07 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 37.6 p -142.01 -20.0 0.72 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.658 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.99 47.67 7.48 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 71' ' ' THR . . . . . 0.431 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 76.0 p -149.66 171.25 16.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.71 0.29 . . . . 0.0 110.481 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 63.0 t -144.2 82.63 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 110.518 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 73' ' ' ASP . . . . . 0.527 ' C ' ' H ' ' T' ' 75' ' ' ASP . 15.1 p-10 -82.21 164.07 21.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.289 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -51.68 -8.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 75' ' ' ASP . . . . . 0.527 ' H ' ' C ' ' T' ' 73' ' ' ASP . 2.0 m-20 -79.02 -90.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.88 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -51.91 -10.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.013 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 77' ' ' PHE . . . . . 0.465 ' H ' ' C ' ' T' ' 75' ' ' ASP . 74.8 t80 -64.86 -53.5 45.69 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.535 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 42.9 mt -52.02 -29.27 20.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 22.9 t -70.88 -21.23 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.509 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 26.7 ttm -72.77 -40.68 65.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.569 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 81' ' ' MET . . . . . 0.514 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -77.19 -56.36 4.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.505 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 97.0 t -44.73 -62.59 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.677 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -47.33 -60.28 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.508 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 69.6 m -51.38 -38.98 56.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.497 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 20.8 mmt -72.16 -71.22 0.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.556 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -50.59 -18.95 0.77 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.639 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -158.98 99.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.632 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' T' T ' 88' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' T' ' 88' ' ' ASP . 27.9 p30 -79.37 129.96 34.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.563 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' T' T ' 1' ' ' MET . . . . . 0.416 ' O ' ' OD1' ' T' ' 3' ' ' ASP . 52.6 mtp . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 48.91 36.99 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 3' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' T' ' 5' ' ' TYR . 8.6 m-20 -78.92 -47.52 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.678 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 4' ' ' ILE . . . . . 0.547 ' N ' ' CD1' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.17 -15.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 -179.732 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' T' T ' 5' ' ' TYR . . . . . 0.515 ' N ' ' O ' ' T' ' 3' ' ' ASP . 60.6 m-85 -86.98 -49.37 7.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.505 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -53.35 -42.18 66.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.58 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.38 -37.39 7.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.519 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.65 -30.37 59.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 42.0 t -65.52 -13.67 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.576 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -79.29 -28.0 42.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.506 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -77.02 -23.84 52.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 12' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' T' ' 13' ' ' THR . 12.7 mt -77.6 113.6 15.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 13' ' ' THR . . . . . 0.423 ' O ' ' O ' ' T' ' 12' ' ' LEU . 3.5 m -60.55 -128.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 14' ' ' GLU . . . . . 0.404 ' H ' ' CG2' ' T' ' 13' ' ' THR . 44.0 mt-10 -137.3 -14.63 1.5 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.847 0.356 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 15' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -79.85 -28.7 40.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.395 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -10.26 59.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.503 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -77.73 -46.87 20.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.372 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 18' ' ' ASN . . . . . 0.677 ' H ' HD21 ' T' ' 18' ' ' ASN . 1.1 m-80 -54.39 -31.48 54.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.582 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -59.63 -45.6 91.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 20' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' T' ' 23' ' ' ALA . 78.5 m-85 -73.54 -57.09 4.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -45.08 -30.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.735 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.91 -32.94 74.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.486 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 23' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -67.09 -48.73 67.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.609 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -45.27 -51.32 11.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.45 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -47.06 -33.63 5.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.449 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 13.5 mm -74.33 -39.93 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.561 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 27' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -70.5 -63.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.276 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 15.8 m -86.94 57.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.631 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.23 10.99 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.698 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 176.53 22.3 0.03 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.32 150.7 31.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.589 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -53.24 -83.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.521 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 33' ' ' ASP . . . . . 0.522 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 5.4 p-10 -77.11 -67.76 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.555 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 34' ' ' GLY . . . . . 0.522 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 165.31 28.16 0.02 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 64.3 p -86.28 168.88 13.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.509 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 64.6 mt -132.21 154.61 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.318 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 37' ' ' SER . . . . . 0.507 ' C ' ' H ' ' T' ' 39' ' ' LYS . 8.6 t -159.92 169.91 22.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 4.9 p -45.89 -14.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 39' ' ' LYS . . . . . 0.507 ' H ' ' C ' ' T' ' 37' ' ' SER . 88.2 mttt -74.49 -57.81 3.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.791 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -88.72 4.4 47.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -69.64 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.343 . . . . 0.0 110.435 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 42' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' T' ' 45' ' ' MET . . . -52.68 -44.82 60.44 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -43.31 -37.28 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.642 0.258 . . . . 0.0 111.01 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 44' ' ' VAL . . . . . . . . . . . . . 92.8 t -79.95 -32.12 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.644 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 45' ' ' MET . . . . . 0.403 ' N ' ' O ' ' T' ' 42' ' ' GLY . 1.2 mmt -74.35 -2.53 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.604 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -78.2 -47.25 18.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.552 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 54.6 mtm -47.15 -52.13 16.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.604 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 48' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' T' ' 48' ' ' LEU . 9.9 mp -54.79 -83.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.296 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 49' ' ' GLY . . . . . 0.422 ' O ' ' OE1' ' T' ' 50' ' ' GLN . . . 170.48 41.04 0.03 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 50' ' ' GLN . . . . . 0.422 ' OE1' ' O ' ' T' ' 49' ' ' GLY . 18.1 mm100 -136.72 160.12 39.78 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -171.9 62.18 0.33 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -77.27 177.41 8.9 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.678 2.252 . . . . 0.0 112.039 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.12 153.04 92.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.173 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.74 -7.71 21.3 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.311 2.007 . . . . 0.0 111.765 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -78.81 -37.61 40.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.46 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -79.7 -28.04 40.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.577 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 57' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' T' ' 59' ' ' GLU . 17.5 mt -73.21 -52.23 14.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.5 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 58' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 8.1 tp-100 -43.49 -18.73 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 59' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' T' ' 57' ' ' LEU . 76.5 mt-10 -60.86 -65.23 0.72 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.463 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 62.5 mmm -45.75 -32.91 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.612 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 61' ' ' ILE . . . . . 0.485 ' N ' ' CD1' ' T' ' 61' ' ' ILE . 1.9 mp -76.87 -62.39 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -46.21 -14.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 63' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' T' ' 61' ' ' ILE . 72.3 mt-10 -81.53 -91.44 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 64' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' T' ' 66' ' ' GLU . 31.1 m -43.81 -20.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 65' ' ' ASP . . . . . 0.522 ' C ' ' H ' ' T' ' 67' ' ' ASP . 12.4 m-20 -59.0 82.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.377 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 66' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' T' ' 64' ' ' VAL . 50.9 mm-40 -76.51 28.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.262 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 67' ' ' ASP . . . . . 0.522 ' H ' ' C ' ' T' ' 65' ' ' ASP . 9.4 p30 -156.48 10.74 0.25 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.461 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.41 30.7 2.12 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 95.1 p -77.94 -15.91 58.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.331 . . . . 0.0 110.663 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.57 42.83 79.51 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 52.5 p -152.33 -171.47 3.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.808 0.337 . . . . 0.0 110.541 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 89.2 t -149.45 87.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.442 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 32.8 p30 -73.79 -162.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.384 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 74' ' ' PHE . . . . . 0.404 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 47.6 t80 -88.5 6.31 38.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.761 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 75' ' ' ASP . . . . . 0.495 ' C ' ' H ' ' T' ' 77' ' ' PHE . 16.7 m-20 -95.29 -88.23 0.26 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.993 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -46.32 -13.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.069 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 77' ' ' PHE . . . . . 0.495 ' H ' ' C ' ' T' ' 75' ' ' ASP . 70.3 t80 -65.91 -66.21 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.449 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 34.8 mt -46.7 -21.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.472 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 5.2 t -77.76 -34.31 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.561 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 80' ' ' MET . . . . . 0.447 ' N ' ' O ' ' T' ' 77' ' ' PHE . 27.7 ttm -62.09 -33.88 75.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.644 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' T' T ' 81' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -79.23 -60.31 2.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.727 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 96.2 t -44.79 -50.62 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.682 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -59.15 -66.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.497 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 59.6 m -48.37 -34.54 10.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.687 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 63.8 mtt -77.9 -72.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.609 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -47.1 -23.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.558 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -160.58 97.9 1.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.524 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 40.9 p-10 -77.94 142.84 38.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.509 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.52 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 70.3 mtp . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 48.15 61.66 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.47 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 3' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' T' ' 5' ' ' TYR . 62.1 m-20 -81.2 -61.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.753 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 4' ' ' ILE . . . . . 0.547 ' N ' ' CD1' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -43.85 -15.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.225 -179.665 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' T' T ' 5' ' ' TYR . . . . . 0.52 ' N ' ' O ' ' T' ' 3' ' ' ASP . 56.0 m-85 -90.56 -46.85 8.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.744 0.306 . . . . 0.0 110.449 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -68.8 -23.16 64.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.35 -31.9 72.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.611 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.36 -40.17 37.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.495 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 88.5 t -51.5 -25.78 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.57 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -75.47 -26.05 57.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.624 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -77.49 -26.83 51.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 mt -72.47 119.23 16.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.63 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 13' ' ' THR . . . . . 0.51 ' C ' ' H ' ' T' ' 15' ' ' GLU . 6.2 m -77.38 160.04 29.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 14' ' ' GLU . . . . . 0.516 ' O ' ' ND2' ' T' ' 18' ' ' ASN . 71.5 mt-10 -65.05 4.12 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.591 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 15' ' ' GLU . . . . . 0.51 ' H ' ' C ' ' T' ' 13' ' ' THR . 41.1 mt-10 -85.47 -52.92 5.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 16' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -74.82 -11.15 60.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.906 -179.707 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' T' T ' 17' ' ' LYS . . . . . 0.41 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 85.5 mttt -78.47 -43.12 27.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.35 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 18' ' ' ASN . . . . . 0.616 ' N ' HD21 ' T' ' 18' ' ' ASN . 0.8 OUTLIER -60.42 -19.69 57.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.504 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -74.73 -40.48 61.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.557 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 20' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' T' ' 23' ' ' ALA . 62.7 m-85 -74.97 -54.48 7.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.526 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -46.51 -22.31 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.419 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 22' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' T' ' 20' ' ' PHE . . . -77.08 -34.48 56.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.335 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 23' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -61.79 -52.21 65.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.396 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -43.23 -51.28 6.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.631 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 25' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' T' ' 25' ' ' ASP . 0.8 OUTLIER -47.5 -41.12 20.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.518 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' T' T ' 26' ' ' ILE . . . . . 0.432 HD13 HG23 ' T' ' 26' ' ' ILE . 12.6 mm -64.45 -34.72 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 27' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -77.03 -70.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.34 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 15.9 m -81.93 56.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.571 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.94 9.05 7.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.578 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -168.93 25.97 0.12 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.56 159.57 28.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.754 0.311 . . . . 0.0 110.582 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.97 -70.65 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 33' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' T' ' 33' ' ' ASP . 8.9 p30 -80.07 -74.84 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.53 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 34' ' ' GLY . . . . . 0.517 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 158.89 74.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 11.1 p -155.41 134.03 11.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.816 0.341 . . . . 0.0 110.603 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 69.2 mt -78.63 160.57 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.661 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 37' ' ' SER . . . . . 0.486 ' C ' ' H ' ' T' ' 39' ' ' LYS . 17.1 t -164.16 162.04 22.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.654 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 4.7 p -47.8 -14.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.697 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 39' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' T' ' 37' ' ' SER . 94.3 mttt -78.32 -53.04 7.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -86.27 -5.47 59.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -66.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.428 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.56 -38.96 5.63 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -45.75 -68.39 0.2 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.827 0.346 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 44' ' ' VAL . . . . . . . . . . . . . 92.8 t -50.28 -46.23 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 18.9 mmt -54.95 -16.23 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.767 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -64.95 -53.8 40.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.557 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 53.7 mtm -46.98 -35.57 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.564 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 48' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' T' ' 48' ' ' LEU . 7.2 mp -69.62 -80.6 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 164.97 36.78 0.02 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -141.11 154.23 45.81 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.842 0.354 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -166.0 60.42 0.63 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.641 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.95 -173.95 1.87 Allowed 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.695 2.264 . . . . 0.0 111.994 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 53' ' ' THR . . . . . 0.492 ' HG1' ' H ' ' T' ' 55' ' ' GLU . 0.1 OUTLIER -77.6 152.96 81.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.21 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.33 -5.24 14.51 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.241 1.96 . . . . 0.0 111.748 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 55' ' ' GLU . . . . . 0.492 ' H ' ' HG1' ' T' ' 53' ' ' THR . 64.8 tt0 -80.06 -33.12 39.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.53 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -80.19 -52.13 8.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.595 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 20.8 mt -52.19 -43.89 64.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.627 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 58' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' T' ' 62' ' ' ASP . 7.2 tp-100 -43.47 -35.74 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.567 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -50.96 -49.95 59.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.297 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 48.9 mmm -58.79 -41.31 86.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.335 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 61' ' ' ILE . . . . . 0.5 ' N ' ' CD1' ' T' ' 61' ' ' ILE . 2.1 mp -80.86 -13.91 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.489 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 62' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' T' ' 58' ' ' GLN . 27.1 t70 -71.56 -72.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.361 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -39.33 -42.6 1.06 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.665 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 64' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' T' ' 66' ' ' GLU . 25.0 m -74.35 -45.0 47.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.239 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 65' ' ' ASP . . . . . 0.43 ' OD1' ' OE2' ' T' ' 76' ' ' GLU . 12.7 m-20 -59.78 78.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.468 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 66' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' T' ' 64' ' ' VAL . 67.5 mm-40 -71.55 -30.43 65.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.305 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 67' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' T' ' 67' ' ' ASP . 14.5 p30 -79.91 -19.41 48.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.462 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.31 33.25 49.41 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 57.4 p -82.65 -24.19 33.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.71 0.29 . . . . 0.0 110.533 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.67 35.19 26.07 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 71' ' ' THR . . . . . 0.416 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 80.6 p -149.76 -179.53 7.19 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.835 0.35 . . . . 0.0 110.712 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 90.6 t -134.94 88.58 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 73' ' ' ASP . . . . . 0.535 ' C ' ' H ' ' T' ' 75' ' ' ASP . 37.0 p30 -83.22 164.76 19.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.506 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -55.11 -4.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 75' ' ' ASP . . . . . 0.535 ' H ' ' C ' ' T' ' 73' ' ' ASP . 1.0 OUTLIER -82.24 -82.76 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.971 -179.786 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' T' T ' 76' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' T' ' 65' ' ' ASP . 19.4 pt-20 -63.41 2.35 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.988 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 77' ' ' PHE . . . . . 0.505 ' H ' ' C ' ' T' ' 75' ' ' ASP . 49.8 t80 -75.33 -44.47 45.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.356 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 78' ' ' LEU . . . . . 0.446 ' O ' ' CG2' ' T' ' 82' ' ' VAL . 39.6 mt -72.29 11.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.433 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 79' ' ' VAL . . . . . 0.484 ' H ' ' C ' ' T' ' 77' ' ' PHE . 64.7 t -105.99 -42.4 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 15.4 ttm -61.83 -41.95 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.883 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 81' ' ' MET . . . . . . . . . . . . . 9.8 mtt -78.89 -62.08 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.981 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 82' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' T' ' 78' ' ' LEU . 85.3 t -41.47 -38.84 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.965 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -75.88 -58.94 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.512 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 61.4 m -52.12 -27.35 13.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 11.7 mmt -72.3 -74.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.551 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -45.88 -25.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -159.23 112.71 2.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.508 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -78.32 112.81 15.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.581 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 56.4 mtp . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 47.29 37.72 6.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 3' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' T' ' 5' ' ' TYR . 29.3 m-20 -79.67 -47.46 15.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.682 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 4' ' ' ILE . . . . . 0.543 ' N ' ' CD1' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.15 -15.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 -179.723 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' T' T ' 5' ' ' TYR . . . . . 0.522 ' N ' ' O ' ' T' ' 3' ' ' ASP . 64.5 m-85 -88.66 -49.94 6.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.838 0.352 . . . . 0.0 110.499 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -46.58 -29.5 1.85 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.548 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.17 96.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.657 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.97 -14.2 58.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.717 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 90.0 t -77.56 -44.38 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.66 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -60.7 -18.73 56.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.617 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -78.47 -22.99 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 mt -79.82 121.76 25.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 13' ' ' THR . . . . . 0.527 ' C ' ' H ' ' T' ' 15' ' ' GLU . 28.7 m -75.97 158.67 31.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.428 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 14' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' T' ' 18' ' ' ASN . 31.3 mt-10 -66.31 5.86 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.64 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 15' ' ' GLU . . . . . 0.527 ' H ' ' C ' ' T' ' 13' ' ' THR . 35.7 mt-10 -88.03 -54.67 4.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.929 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 16' ' ' GLN . . . . . 0.487 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -71.15 -11.25 60.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.086 -179.521 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' T' T ' 17' ' ' LYS . . . . . 0.487 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 79.9 mttt -74.16 -36.81 64.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.441 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 18' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' T' ' 14' ' ' GLU . 1.7 m-80 -70.28 -18.94 63.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.566 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -71.36 -37.27 71.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.655 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 20' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' T' ' 23' ' ' ALA . 72.4 m-85 -76.95 -58.39 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.662 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -43.98 -21.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.655 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 22' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' T' ' 20' ' ' PHE . . . -75.52 -36.44 60.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.366 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 23' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -67.68 -41.09 84.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.397 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -50.24 -56.92 9.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.22 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -41.95 -32.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 26' ' ' ILE . . . . . 0.417 HD13 HG23 ' T' ' 26' ' ' ILE . 11.0 mm -74.89 -53.93 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.67 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 27' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -56.46 -13.94 2.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 6.9 m -149.6 56.66 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.443 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 pp -82.08 18.52 1.34 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.62 -28.15 0.02 OUTLIER Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.62 140.62 34.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 0.0 110.627 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -48.07 -91.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 33' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 10.5 p30 -55.54 -102.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.53 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 34' ' ' GLY . . . . . 0.502 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . -176.5 23.04 0.05 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 62.5 p -80.47 125.7 30.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.491 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 40.9 mt -88.62 152.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.686 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 37' ' ' SER . . . . . 0.513 ' C ' ' H ' ' T' ' 39' ' ' LYS . 10.5 t -156.98 165.25 36.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.505 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 34.7 p -50.24 -10.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.798 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 39' ' ' LYS . . . . . 0.513 ' H ' ' C ' ' T' ' 37' ' ' SER . 89.8 mttt -77.6 -56.47 4.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.667 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -86.52 -3.2 58.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.772 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.32 -64.3 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.392 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.83 -39.31 4.82 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 43' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' T' ' 46' ' ' ARG . 91.1 mttt -46.74 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 0.0 110.709 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 44' ' ' VAL . . . . . . . . . . . . . 86.4 t -43.91 -40.78 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 19.5 mmt -67.57 -27.59 67.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.563 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 46' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' T' ' 43' ' ' LYS . 70.1 ttt180 -48.84 -35.62 15.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.489 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 68.6 mtm -67.69 -40.87 84.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 48' ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' T' ' 48' ' ' LEU . 7.2 mp -70.11 -2.4 12.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.12 46.39 9.3 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -142.17 150.04 40.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.875 0.369 . . . . 0.0 110.259 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -171.11 58.98 0.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.06 -174.7 2.04 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.772 2.315 . . . . 0.0 111.863 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.61 153.28 95.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.053 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.28 -4.97 15.45 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.292 1.994 . . . . 0.0 111.767 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -81.5 -30.76 33.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -79.2 -34.5 42.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.702 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 42.3 mt -70.82 -48.59 53.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.669 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 58' ' ' GLN . . . . . 0.423 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.4 tp-100 -45.25 -34.02 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.574 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -56.64 -33.67 66.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.427 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 49.0 mmm -76.55 -36.93 57.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.561 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 61' ' ' ILE . . . . . 0.461 ' N ' ' CD1' ' T' ' 61' ' ' ILE . 2.1 mp -81.96 -12.41 12.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.222 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.66 -50.63 11.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.975 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -52.09 -41.91 62.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.874 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 64' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' T' ' 66' ' ' GLU . 31.6 m -77.2 -45.68 29.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.773 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 65' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -59.29 80.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.446 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 66' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' T' ' 64' ' ' VAL . 10.5 mm-40 -63.4 -33.14 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.351 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 67' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' T' ' 67' ' ' ASP . 23.0 p-10 -82.34 -23.47 35.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.483 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.9 33.3 42.03 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 19.0 p -79.87 -24.61 41.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 110.631 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.15 38.28 13.48 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 54.6 p -152.49 126.1 8.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.785 0.326 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 97.3 t -83.7 88.66 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 73' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' T' ' 75' ' ' ASP . 5.6 p30 -71.45 174.33 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.234 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 74' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 60.2 t80 -77.72 5.1 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.663 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 75' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' T' ' 73' ' ' ASP . 6.0 m-20 -95.74 -72.16 0.64 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.819 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -62.4 -3.81 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.972 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 77' ' ' PHE . . . . . 0.4 ' H ' ' C ' ' T' ' 75' ' ' ASP . 81.9 t80 -70.72 -57.68 4.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.358 . . . . 0.0 110.351 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 31.1 mt -52.51 -20.08 2.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.374 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 56.8 t -79.84 -23.51 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.516 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 26.8 ttm -72.5 -39.56 67.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.634 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 81' ' ' MET . . . . . 0.548 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -76.32 -59.6 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.657 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 99.2 t -44.66 -45.16 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.759 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -70.63 -60.52 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.552 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 42.3 m -46.29 -41.37 13.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.592 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 64.8 mtt -67.06 -74.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.643 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -61.45 -70.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -73.01 63.73 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -66.36 130.49 43.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 20.8 p . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.61 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 50.8 mtp . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 52.75 43.36 31.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 3' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' T' ' 5' ' ' TYR . 24.3 m-20 -79.71 -50.95 9.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 4' ' ' ILE . . . . . 0.539 ' N ' ' CD1' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.0 -15.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.187 -179.735 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' T' T ' 5' ' ' TYR . . . . . 0.526 ' N ' ' O ' ' T' ' 3' ' ' ASP . 58.8 m-85 -89.26 -58.3 2.58 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.828 0.347 . . . . 0.0 110.431 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -52.62 -36.62 56.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.495 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.94 -35.47 45.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.545 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.45 -34.21 67.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.28 -20.92 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.499 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -75.93 -21.9 56.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.508 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -74.94 -24.26 58.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.498 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.16 122.67 23.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.54 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 13' ' ' THR . . . . . . . . . . . . . 9.9 m -78.82 157.62 28.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -71.12 60.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.543 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 15' ' ' GLU . . . . . 0.424 ' O ' ' OE2' ' T' ' 19' ' ' GLU . 57.1 mt-10 -151.77 -45.78 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.05 9.4 5.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.564 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -97.78 -39.34 9.08 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.524 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 18' ' ' ASN . . . . . 0.587 ' H ' HD21 ' T' ' 18' ' ' ASN . 1.2 m-80 -44.96 -25.91 0.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 19' ' ' GLU . . . . . 0.511 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.3 pm0 -80.88 -51.5 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.437 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -59.88 -34.02 72.61 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.381 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -77.47 -28.86 52.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.466 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.24 -6.8 57.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.425 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.06 -56.07 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.51 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -45.6 -49.47 14.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.545 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.59 -42.92 7.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.778 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 mm -59.79 -64.42 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.627 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 27' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -45.58 -68.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.593 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 13.7 m -83.56 49.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.608 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 29' ' ' LEU . . . . . 0.419 ' C ' ' CD1' ' T' ' 29' ' ' LEU . 2.0 pp -69.55 -0.96 7.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.022 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.43 25.0 0.07 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.76 154.03 34.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.44 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -46.9 -87.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 33' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 8.5 p30 -81.34 -102.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.56 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 34' ' ' GLY . . . . . 0.508 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . -164.08 78.22 0.14 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 90.5 p -154.11 126.09 7.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.841 0.353 . . . . 0.0 110.496 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 36' ' ' ILE . . . . . 0.404 HD11 HG21 ' T' ' 36' ' ' ILE . 62.7 mt -78.47 157.37 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.523 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 37' ' ' SER . . . . . 0.464 ' C ' ' H ' ' T' ' 39' ' ' LYS . 11.7 t -160.06 162.43 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 30.8 p -46.64 -16.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.612 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 39' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' T' ' 37' ' ' SER . 93.2 mttt -76.12 -55.02 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.619 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -84.15 -7.19 59.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.626 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -70.2 0.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.24 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.23 -37.2 10.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -47.18 -43.34 21.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 110.655 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 44' ' ' VAL . . . . . 0.412 ' C ' ' H ' ' T' ' 46' ' ' ARG . 98.9 t -76.31 -53.73 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 56.4 mtp -57.74 -9.26 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.612 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 46' ' ' ARG . . . . . 0.412 ' H ' ' C ' ' T' ' 44' ' ' VAL . 66.1 ttt180 -64.84 -45.83 84.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.616 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 48.9 mtt -51.57 -34.24 35.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.447 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 48' ' ' LEU . . . . . 0.53 ' CD1' ' N ' ' T' ' 48' ' ' LEU . 7.2 mp -78.99 10.4 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.358 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.55 -5.33 30.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -81.76 133.92 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.561 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 51' ' ' ASN . . . . . 0.51 ' C ' HD21 ' T' ' 51' ' ' ASN . 0.1 OUTLIER -161.16 59.58 1.12 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.6 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.44 -170.3 0.79 Allowed 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.785 2.323 . . . . 0.0 111.865 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 53' ' ' THR . . . . . 0.42 ' CG2' ' OE2' ' T' ' 56' ' ' GLU . 0.1 OUTLIER -72.81 152.55 91.21 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.084 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.74 -6.35 18.37 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.221 1.947 . . . . 0.0 111.696 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -81.5 -29.98 33.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.487 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 56' ' ' GLU . . . . . 0.42 ' OE2' ' CG2' ' T' ' 53' ' ' THR . 43.5 mt-10 -77.89 -40.45 39.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.65 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.29 -48.89 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.565 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 58' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' T' ' 62' ' ' ASP . 7.6 tp-100 -45.5 -30.65 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.628 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.63 -34.67 71.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.481 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 59.4 mmm -75.03 -39.37 61.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.58 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 61' ' ' ILE . . . . . 0.515 ' N ' ' CD1' ' T' ' 61' ' ' ILE . 1.9 mp -79.59 -24.66 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.431 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 62' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' T' ' 58' ' ' GLN . 14.3 t70 -62.05 -61.9 2.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.86 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -47.36 -70.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 64' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' T' ' 66' ' ' GLU . 31.7 m -43.98 -43.87 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 65' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' T' ' 71' ' ' THR . 26.7 m-20 -62.39 73.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.489 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 66' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' T' ' 64' ' ' VAL . 67.6 mm-40 -80.59 37.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.454 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 67' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' T' ' 65' ' ' ASP . 11.0 p-10 -158.39 17.78 0.22 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.612 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.42 90.21 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 69' ' ' SER . . . . . 0.692 ' HG ' ' H ' ' T' ' 71' ' ' THR . 54.7 p -150.0 -29.88 0.22 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.799 0.333 . . . . 0.0 110.544 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 70' ' ' GLY . . . . . 0.438 ' N ' ' HG ' ' T' ' 69' ' ' SER . . . 79.32 3.76 88.71 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 71' ' ' THR . . . . . 0.692 ' H ' ' HG ' ' T' ' 69' ' ' SER . 31.0 p -107.37 172.63 6.72 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.872 0.368 . . . . 0.0 110.476 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 96.0 t -139.68 88.31 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.347 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 50.9 p30 -72.44 -168.42 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.336 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 74' ' ' PHE . . . . . 0.512 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 45.8 t80 -84.23 11.85 7.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.668 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 75' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -98.78 -94.53 0.24 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 76' ' ' GLU . . . . . 0.413 ' OE2' ' OD1' ' T' ' 65' ' ' ASP . 20.2 pt-20 -42.34 -25.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.166 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 77' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -50.38 -40.06 48.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.342 . . . . 0.0 110.508 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 34.1 mt -78.69 -20.96 48.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.311 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 45.4 t -78.77 -9.45 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.647 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 37.9 ttp -77.04 -54.58 6.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.998 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 81' ' ' MET . . . . . 0.418 ' O ' ' N ' ' T' ' 84' ' ' SER . 27.7 mtm -79.71 -53.01 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 82.1 t -41.55 -34.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.897 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -78.36 -39.17 40.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 84' ' ' SER . . . . . 0.418 ' N ' ' O ' ' T' ' 81' ' ' MET . 65.7 m -77.32 -20.2 55.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.549 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 39.3 mtt -80.04 -70.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.576 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -47.47 -27.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.609 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -159.33 106.31 1.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.559 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -78.39 157.75 28.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.577 179.893 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 70.0 mtp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 47.04 60.74 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' T' ' 5' ' ' TYR . 34.8 m-20 -80.37 -61.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.688 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 4' ' ' ILE . . . . . 0.538 ' N ' ' CD1' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.01 -15.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.212 -179.766 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' T' T ' 5' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' T' ' 3' ' ' ASP . 57.4 m-85 -91.54 -56.91 2.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.835 0.35 . . . . 0.0 110.522 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -51.79 -19.45 1.68 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.51 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.96 -39.08 69.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.535 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.65 -40.24 63.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 61.3 t -51.8 -29.66 11.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.487 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -73.99 -23.87 59.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.564 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -78.24 -22.84 47.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 mt -78.32 110.53 13.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 13' ' ' THR . . . . . 0.52 ' C ' ' H ' ' T' ' 15' ' ' GLU . 5.6 m -71.46 159.51 34.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.437 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 14' ' ' GLU . . . . . 0.461 ' O ' ' ND2' ' T' ' 18' ' ' ASN . 49.7 mt-10 -67.51 7.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.716 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 15' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' T' ' 13' ' ' THR . 47.5 mt-10 -86.99 -48.91 7.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 16' ' ' GLN . . . . . 0.521 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -79.55 -14.68 58.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 -179.62 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' T' T ' 17' ' ' LYS . . . . . 0.521 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 79.8 mttt -67.61 -39.58 84.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.918 0.39 . . . . 0.0 110.297 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 18' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' T' ' 14' ' ' GLU . 1.9 m-80 -55.49 -28.24 53.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -66.31 -47.58 73.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 20' ' ' PHE . . . . . 0.511 ' O ' ' N ' ' T' ' 22' ' ' ALA . 56.8 m-85 -70.18 -59.5 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.538 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -41.26 -21.17 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.796 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 22' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -79.4 -40.31 30.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.396 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 23' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -54.37 -43.1 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.431 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 24' ' ' PHE . . . . . 0.5 ' CZ ' ' CD2' ' T' ' 77' ' ' PHE . 48.8 m-85 -45.5 -57.83 3.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.382 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -47.22 -51.58 18.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.685 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 26' ' ' ILE . . . . . 0.427 HG23 HD12 ' T' ' 26' ' ' ILE . 11.2 mm -51.6 -48.25 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.591 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 27' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -67.21 -69.38 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.192 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 28' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' T' ' 35' ' ' SER . 9.4 m -88.26 63.84 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.466 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.02 29.08 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.024 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 163.21 25.65 0.02 OUTLIER Glycine 0 CA--C 1.525 0.662 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.361 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.71 177.8 7.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.818 0.342 . . . . 0.0 110.523 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -79.36 -78.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 33' ' ' ASP . . . . . 0.523 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 12.9 p-10 -80.14 -69.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 34' ' ' GLY . . . . . 0.523 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 163.38 29.72 0.02 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 35' ' ' SER . . . . . 0.463 ' O ' ' CG1' ' T' ' 28' ' ' VAL . 94.0 p -85.75 165.63 16.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.805 0.336 . . . . 0.0 110.543 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 67.7 mt -131.47 160.12 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.285 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 37' ' ' SER . . . . . 0.493 ' C ' ' H ' ' T' ' 39' ' ' LYS . 24.6 t -159.57 176.64 11.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.62 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 38' ' ' THR . . . . . 0.42 ' N ' ' OG ' ' T' ' 37' ' ' SER . 6.8 p -59.93 -0.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 39' ' ' LYS . . . . . 0.493 ' H ' ' C ' ' T' ' 37' ' ' SER . 91.1 mttt -83.9 -60.56 2.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.888 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -83.22 6.44 19.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.066 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.86 -71.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.397 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.98 -44.69 7.41 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -43.68 -40.23 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.701 0.286 . . . . 0.0 111.002 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 44' ' ' VAL . . . . . 0.512 ' C ' ' H ' ' T' ' 46' ' ' ARG . 87.5 t -79.95 -59.52 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.723 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 59.2 mtp -55.63 -5.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.645 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 46' ' ' ARG . . . . . 0.512 ' H ' ' C ' ' T' ' 44' ' ' VAL . 70.1 ttt180 -80.07 -52.29 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.612 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 60.2 mtm -45.02 -28.62 0.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.653 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 48' ' ' LEU . . . . . 0.529 ' CD1' ' N ' ' T' ' 48' ' ' LEU . 7.2 mp -70.71 -60.12 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.238 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 158.49 -12.81 0.23 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -83.67 165.87 18.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 0.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 51' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' T' ' 51' ' ' ASN . 0.7 OUTLIER -167.85 58.76 0.42 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.585 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.04 172.0 17.23 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.752 2.301 . . . . 0.0 111.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 53' ' ' THR . . . . . 0.688 ' HG1' ' H ' ' T' ' 55' ' ' GLU . 0.1 OUTLIER -77.69 153.34 80.91 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.127 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.42 -9.83 21.71 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 122.302 2.001 . . . . 0.0 111.657 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 55' ' ' GLU . . . . . 0.688 ' H ' ' HG1' ' T' ' 53' ' ' THR . 86.8 tt0 -83.09 -33.58 26.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.557 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -81.62 -30.02 33.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 57' ' ' LEU . . . . . 0.419 ' C ' ' N ' ' T' ' 59' ' ' GLU . 17.2 mt -68.71 -46.23 69.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 58' ' ' GLN . . . . . 0.423 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.9 tp-100 -46.63 -20.66 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.334 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 59' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' T' ' 57' ' ' LEU . 72.2 mt-10 -66.27 -37.36 85.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.486 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 55.2 mmm -70.51 -35.54 73.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 61' ' ' ILE . . . . . 0.531 ' N ' ' CD1' ' T' ' 61' ' ' ILE . 1.9 mp -77.84 -13.6 14.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.362 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 62' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' T' ' 64' ' ' VAL . 10.5 t70 -81.29 -42.04 21.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.845 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.7 29.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.855 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 64' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' T' ' 66' ' ' GLU . 10.9 m -154.01 -34.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.457 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 65' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' T' ' 71' ' ' THR . 16.1 m-20 -61.88 73.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.417 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 66' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' T' ' 64' ' ' VAL . 34.4 mm-40 -66.83 -31.33 71.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.386 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -84.49 2.93 38.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.532 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 45.73 83.71 0.02 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.761 -0.935 . . . . 0.0 110.761 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 20.8 p -142.72 -12.47 0.77 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.73 0.3 . . . . 0.0 110.682 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.68 44.29 49.2 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 71' ' ' THR . . . . . 0.401 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 59.0 p -151.87 -168.44 3.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 0.0 110.443 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 25.1 t -147.47 73.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.543 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 41.0 p30 -60.16 -162.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.326 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 74' ' ' PHE . . . . . 0.525 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 45.7 t80 -86.6 -4.27 59.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.652 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 75' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' T' ' 77' ' ' PHE . 4.7 m-20 -81.22 -88.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -46.51 -14.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.738 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 77' ' ' PHE . . . . . 0.5 ' CD2' ' CZ ' ' T' ' 24' ' ' PHE . 29.3 t80 -46.74 -53.87 10.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.493 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.64 -49.09 57.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.501 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -46.59 -21.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.682 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 50.4 ttm -70.84 -62.76 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.579 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 81' ' ' MET . . . . . 0.415 ' SD ' ' N ' ' T' ' 81' ' ' MET . 1.8 mpt? -70.59 -47.56 59.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.618 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 90.4 t -44.38 -49.32 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.762 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -68.23 -62.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 69.1 m -46.85 -31.61 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.591 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 7.3 mmt -77.93 -69.23 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.624 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -50.73 -22.88 2.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.623 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -158.13 100.71 1.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.547 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' T' T ' 88' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' T' ' 88' ' ' ASP . 1.5 p30 -78.37 125.42 29.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.542 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.577 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 41.2 mtp . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 52.31 48.65 22.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.519 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 3' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' T' ' 5' ' ' TYR . 13.5 m-20 -80.01 -53.29 6.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 4' ' ' ILE . . . . . 0.54 ' N ' ' CD1' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.0 -15.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.762 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' T' T ' 5' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' T' ' 3' ' ' ASP . 58.1 m-85 -89.65 -39.56 13.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.864 0.364 . . . . 0.0 110.466 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 6' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' T' ' 3' ' ' ASP . 10.1 mmmt -60.64 -49.42 77.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.374 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.67 -32.05 7.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.552 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.5 67.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 18.8 t -72.37 -31.71 39.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.51 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -61.71 -24.27 66.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.582 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -77.42 -32.23 54.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 17.0 mt -72.55 125.37 27.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 13' ' ' THR . . . . . 0.521 ' C ' ' H ' ' T' ' 15' ' ' GLU . 8.8 m -78.97 157.85 28.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 14' ' ' GLU . . . . . 0.468 ' O ' ' ND2' ' T' ' 18' ' ' ASN . 59.6 mt-10 -63.58 1.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 15' ' ' GLU . . . . . 0.521 ' H ' ' C ' ' T' ' 13' ' ' THR . 55.4 mt-10 -83.78 -59.82 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.754 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 16' ' ' GLN . . . . . 0.409 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -66.58 -11.64 54.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' T' T ' 17' ' ' LYS . . . . . 0.409 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 81.9 mttt -78.63 -28.65 45.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.815 0.341 . . . . 0.0 110.266 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 18' ' ' ASN . . . . . 0.482 ' N ' HD21 ' T' ' 18' ' ' ASN . 1.2 m-80 -77.93 -15.4 59.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.422 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -75.88 -35.36 59.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 20' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' T' ' 23' ' ' ALA . 56.0 m-85 -74.87 -58.22 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.673 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -43.92 -18.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.712 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 22' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -80.52 -36.17 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.393 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 23' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -64.75 -48.43 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.588 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -44.3 -50.03 9.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 25' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' T' ' 25' ' ' ASP . 1.0 OUTLIER -48.36 -39.13 21.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.276 179.839 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 13.8 mm -68.49 -37.48 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.408 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 27' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -72.62 -64.03 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.216 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 28' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' T' ' 35' ' ' SER . 9.7 m -90.46 62.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.543 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.5 23.52 1.34 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.545 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 170.88 16.3 0.02 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.77 161.5 22.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.806 0.336 . . . . 0.0 110.548 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.76 -83.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 33' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 8.4 p30 -78.29 -102.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.527 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 34' ' ' GLY . . . . . 0.511 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . -157.0 30.25 0.54 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 35' ' ' SER . . . . . 0.467 ' O ' ' CG1' ' T' ' 28' ' ' VAL . 9.9 p -83.12 166.42 18.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.803 0.335 . . . . 0.0 110.506 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 41.3 mt -136.82 89.93 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.481 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 37' ' ' SER . . . . . 0.53 ' HG ' ' H ' ' T' ' 38' ' ' THR . 23.2 t -79.79 -173.34 3.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.474 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 38' ' ' THR . . . . . 0.53 ' H ' ' HG ' ' T' ' 37' ' ' SER . 42.8 p -72.91 -9.07 58.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.582 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 39' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -80.35 -51.47 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.674 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -79.03 -0.92 33.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.76 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.36 -62.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.429 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.16 -43.5 42.05 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -42.78 -52.92 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.629 0.252 . . . . 0.0 111.022 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 44' ' ' VAL . . . . . 0.403 ' C ' ' N ' ' T' ' 46' ' ' ARG . 93.2 t -66.25 -53.44 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.72 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 20.8 mmt -50.21 -16.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 46' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' T' ' 44' ' ' VAL . 72.2 ttt180 -57.14 -58.47 8.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 47' ' ' MET . . . . . 0.426 ' C ' ' H ' ' T' ' 49' ' ' GLY . 61.4 mtm -54.21 -29.75 47.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.583 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 48' ' ' LEU . . . . . 0.536 ' CD1' ' N ' ' T' ' 48' ' ' LEU . 7.2 mp -76.95 13.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.33 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 49' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' T' ' 47' ' ' MET . . . 61.59 43.25 99.53 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -141.07 158.73 43.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.747 0.308 . . . . 0.0 110.239 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -172.04 63.39 0.34 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.698 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -77.88 172.46 15.59 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.747 2.298 . . . . 0.0 112.013 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.28 153.46 95.18 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.182 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.14 -6.54 18.55 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.257 1.971 . . . . 0.0 111.8 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -83.83 -32.2 25.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.642 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.89 -37.66 34.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.716 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 29.0 mt -65.68 -43.3 89.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.582 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 58' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.7 tp-100 -46.95 -25.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.33 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -58.99 -39.47 81.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.352 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 59.5 mmm -68.96 -37.69 78.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.363 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 61' ' ' ILE . . . . . 0.513 ' N ' ' CD1' ' T' ' 61' ' ' ILE . 1.9 mp -73.56 -32.2 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.119 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -78.54 44.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.663 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -149.02 -50.81 0.15 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.445 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 64' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' T' ' 66' ' ' GLU . 35.1 m -78.47 -38.75 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 65' ' ' ASP . . . . . 0.447 ' C ' ' H ' ' T' ' 67' ' ' ASP . 56.5 m-20 -60.09 79.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.461 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 66' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' T' ' 64' ' ' VAL . 66.4 mm-40 -73.63 45.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.303 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 67' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' T' ' 69' ' ' SER . 1.7 p30 -158.64 -22.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.88 28.32 38.44 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 69' ' ' SER . . . . . 0.511 ' N ' ' OD1' ' T' ' 67' ' ' ASP . 45.4 p -82.12 -30.49 31.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.778 0.323 . . . . 0.0 110.611 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.42 41.27 16.97 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 71' ' ' THR . . . . . 0.441 ' N ' ' OD2' ' T' ' 65' ' ' ASP . 44.6 p -153.21 126.49 8.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.791 0.329 . . . . 0.0 110.613 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 96.4 t -85.72 87.47 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 73' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' T' ' 75' ' ' ASP . 10.0 p30 -62.43 -154.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -102.19 -9.77 20.17 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.561 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 75' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' T' ' 73' ' ' ASP . 5.4 m-20 -84.5 -87.94 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 76' ' ' GLU . . . . . 0.427 ' OE2' ' OD1' ' T' ' 65' ' ' ASP . 6.2 pt-20 -44.02 -17.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 77' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' T' ' 75' ' ' ASP . 48.2 t80 -50.83 -30.55 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.352 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 78' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' T' ' 80' ' ' MET . 23.7 mt -78.38 -53.76 6.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.267 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 41.2 t -51.06 -11.34 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.389 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 80' ' ' MET . . . . . 0.505 ' H ' ' C ' ' T' ' 78' ' ' LEU . 26.3 ttt -69.52 -66.25 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.876 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' T' T ' 81' ' ' MET . . . . . . . . . . . . . 25.1 mtm -81.46 -40.72 22.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 93.6 t -44.21 -33.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.685 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -78.48 -49.74 12.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.528 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -63.93 -26.16 68.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.609 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 70.2 mtp -78.82 -57.41 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.601 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -52.71 -26.92 15.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -160.92 106.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -77.46 149.47 35.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.571 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 58.2 mtp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 58.38 67.18 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.493 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 3' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' T' ' 5' ' ' TYR . 57.6 m-20 -82.58 -72.76 0.43 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.718 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 4' ' ' ILE . . . . . 0.55 ' N ' ' CD1' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -43.52 -16.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.254 -179.635 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' T' T ' 5' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' T' ' 3' ' ' ASP . 54.7 m-85 -89.67 -49.72 6.49 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.801 0.334 . . . . 0.0 110.341 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -56.61 -40.17 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.31 -39.99 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.59 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.17 -42.07 39.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.611 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 63.1 t -56.54 -25.72 21.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -74.09 -28.33 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.633 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -72.74 -21.51 61.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -78.53 112.82 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.629 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 13' ' ' THR . . . . . 0.506 ' C ' ' H ' ' T' ' 15' ' ' GLU . 6.4 m -80.95 160.43 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -63.35 2.03 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.565 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 15' ' ' GLU . . . . . 0.506 ' H ' ' C ' ' T' ' 13' ' ' THR . 38.8 mt-10 -85.33 -51.72 6.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.58 5.66 8.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.974 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -97.42 -23.96 15.84 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.499 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 18' ' ' ASN . . . . . 0.485 ' N ' HD21 ' T' ' 18' ' ' ASN . 1.3 m120 -58.03 -26.59 62.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.779 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 19' ' ' GLU . . . . . 0.483 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.3 pm0 -80.93 -48.71 11.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.334 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -60.23 -57.39 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.447 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -48.29 -25.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.454 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.46 -42.95 24.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.426 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.6 -53.91 13.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.537 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -42.65 -57.68 2.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -44.13 -34.32 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 mm -71.73 -58.4 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.607 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 27' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -55.95 -17.01 5.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.688 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 m -150.15 73.91 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.46 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.6 24.36 5.32 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.23 5.41 0.07 OUTLIER Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.62 167.66 20.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.537 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -73.51 -71.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.401 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 33' ' ' ASP . . . . . 0.527 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 3.6 p-10 -80.41 -71.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 34' ' ' GLY . . . . . 0.527 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 157.69 23.65 0.03 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 56.8 p -82.97 127.2 33.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.351 . . . . 0.0 110.609 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 36' ' ' ILE . . . . . 0.413 HG21 HD11 ' T' ' 36' ' ' ILE . 55.6 mt -86.35 158.03 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.388 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 37' ' ' SER . . . . . 0.511 ' C ' ' H ' ' T' ' 39' ' ' LYS . 7.9 t -157.32 165.48 35.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.62 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 5.3 p -54.21 -6.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.734 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 39' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' T' ' 37' ' ' SER . 91.5 mttt -81.19 -57.76 3.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.894 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -85.66 5.68 30.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.998 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 41' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' T' ' 43' ' ' LYS . 0.2 OUTLIER -76.37 -70.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.281 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.42 -12.59 0.11 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 43' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' T' ' 41' ' ' LEU . 77.5 tttt -73.71 -40.86 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.74 0.305 . . . . 0.0 110.595 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 44' ' ' VAL . . . . . . . . . . . . . 98.8 t -79.26 -44.25 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.694 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 56.6 mtp -62.9 -12.24 23.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.67 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -70.06 -36.4 74.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.5 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 41.0 mtt -57.86 -34.99 70.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.612 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 48' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' T' ' 48' ' ' LEU . 7.2 mp -70.08 -79.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.359 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 170.25 41.26 0.03 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -140.95 164.07 31.25 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.799 0.333 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -172.05 60.25 0.28 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.717 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -76.65 -178.84 4.8 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.834 2.356 . . . . 0.0 111.961 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.56 153.21 78.61 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.124 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -66.84 -3.7 9.93 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.231 1.954 . . . . 0.0 111.731 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -81.24 -34.6 32.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -81.79 -39.73 23.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.704 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 66.8 mt -61.66 -40.75 96.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.479 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 58' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.5 tp-100 -47.19 -30.54 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.238 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -56.91 -32.5 65.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.516 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 56.4 mmm -78.39 -40.07 37.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.5 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 61' ' ' ILE . . . . . 0.525 ' N ' ' CD1' ' T' ' 61' ' ' ILE . 1.8 mp -77.54 -8.85 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -81.63 -59.98 2.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.771 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -45.6 -42.38 11.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.804 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 64' ' ' VAL . . . . . . . . . . . . . 30.0 m -74.13 -44.31 50.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.717 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 65' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -65.77 82.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.517 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 66' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -64.62 -35.01 79.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.4 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 67' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' T' ' 67' ' ' ASP . 16.0 p30 -81.09 -27.0 35.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.01 33.53 23.56 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 90.7 p -80.23 -20.72 43.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 110.598 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.35 40.08 11.72 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 71' ' ' THR . . . . . 0.429 ' O ' ' OE2' ' T' ' 76' ' ' GLU . 44.1 p -153.26 129.46 10.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.809 0.338 . . . . 0.0 110.401 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 58.8 t -83.6 85.08 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.51 154.08 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.292 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 74' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' T' ' 74' ' ' PHE . 45.8 t80 -60.15 -13.73 13.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 75' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -79.51 -64.41 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 76' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' T' ' 71' ' ' THR . 20.8 pt-20 -68.83 -10.43 56.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.81 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 77' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -62.64 -55.99 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.586 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 45.7 mt -51.2 -41.04 59.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.57 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.78 -32.34 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.499 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 4.3 ttt -59.36 -34.61 72.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.633 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 81' ' ' MET . . . . . 0.561 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -80.59 -59.75 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.763 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 38.8 t -43.03 -43.05 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 83' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' T' ' 87' ' ' ASP . 79.2 mtp180 -63.8 -70.95 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.481 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 5.6 m -46.89 -30.74 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.586 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 85' ' ' MET . . . . . 0.456 ' C ' ' H ' ' T' ' 87' ' ' ASP . 12.5 mmt -78.68 -83.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.606 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -50.21 -13.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.663 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' T' T ' 87' ' ' ASP . . . . . 0.456 ' H ' ' C ' ' T' ' 85' ' ' MET . 31.9 m-20 -158.49 92.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 88' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' T' ' 88' ' ' ASP . 22.3 p-10 -79.2 116.34 19.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.489 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 61.6 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.584 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 33.4 mtp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 49.56 47.13 23.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 3' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' T' ' 5' ' ' TYR . 11.4 m-20 -80.72 -51.68 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.644 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 4' ' ' ILE . . . . . 0.545 ' N ' ' CD1' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.06 -15.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.185 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' T' T ' 5' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' T' ' 3' ' ' ASP . 58.8 m-85 -88.39 -45.99 9.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.776 0.322 . . . . 0.0 110.454 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -62.13 -23.98 66.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.47 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.17 80.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.14 -33.87 50.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.25 -28.37 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -72.65 -22.69 60.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -78.3 -29.62 47.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.591 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.39 123.66 22.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.6 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -74.93 -128.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.414 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -132.19 -19.67 2.49 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 15' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.78 -39.19 70.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.436 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 16' ' ' GLN . . . . . 0.427 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -78.98 -13.26 59.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.469 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' T' T ' 17' ' ' LYS . . . . . 0.427 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 72.3 tttt -74.33 -48.76 26.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -59.3 -17.02 25.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.6 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -73.59 -43.04 60.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.527 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 20' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' T' ' 23' ' ' ALA . 80.6 m-85 -74.93 -55.96 5.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.512 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -44.8 -36.57 3.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.706 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.08 70.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.466 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 23' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -67.39 -49.39 64.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -45.65 -53.39 9.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.467 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -43.1 -45.2 5.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.646 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 26' ' ' ILE . . . . . 0.402 HG23 HD12 ' T' ' 26' ' ' ILE . 11.3 mm -63.43 -52.01 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.582 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 27' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -60.8 -20.74 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.689 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 4.3 m -149.92 72.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.415 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.24 22.57 7.55 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.583 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -169.8 3.32 0.04 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.25 158.15 29.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.765 0.316 . . . . 0.0 110.609 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -56.29 -82.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.476 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 33' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 4.6 p-10 -78.78 -69.56 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.502 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 34' ' ' GLY . . . . . 0.521 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 159.11 30.55 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 59.8 p -80.94 118.95 22.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.815 0.34 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mt -83.86 154.74 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.571 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 37' ' ' SER . . . . . 0.511 ' C ' ' H ' ' T' ' 39' ' ' LYS . 23.0 t -157.42 166.75 32.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 5.3 p -51.84 -8.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.77 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 39' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' T' ' 37' ' ' SER . 83.7 mttt -78.18 -58.74 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.82 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -84.83 0.83 49.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.88 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 41' ' ' LEU . . . . . 0.464 ' C ' ' H ' ' T' ' 43' ' ' LYS . 0.2 OUTLIER -73.91 -65.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.287 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.32 -7.63 1.36 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 43' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' T' ' 41' ' ' LEU . 85.2 tttt -74.77 -42.33 58.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 0.0 110.572 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 44' ' ' VAL . . . . . . . . . . . . . 44.8 t -78.04 -44.11 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 16.5 mmt -59.31 -12.23 5.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.558 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -73.99 -42.57 60.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.586 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 69.7 mtm -60.05 -28.41 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.589 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 48' ' ' LEU . . . . . 0.534 ' CD1' ' N ' ' T' ' 48' ' ' LEU . 7.2 mp -74.47 -78.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.377 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 49' ' ' GLY . . . . . 0.424 ' O ' ' OE1' ' T' ' 50' ' ' GLN . . . 170.68 32.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 50' ' ' GLN . . . . . 0.424 ' OE1' ' O ' ' T' ' 49' ' ' GLY . 28.5 mm100 -136.83 164.46 28.24 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 110.312 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -173.29 61.94 0.27 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.646 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -77.01 -178.6 4.7 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.702 2.268 . . . . 0.0 112.044 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.32 153.14 79.24 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.22 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -67.98 -8.78 23.65 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.287 1.991 . . . . 0.0 111.777 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -80.59 -32.56 36.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.482 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -79.96 -46.81 16.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.658 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 22.9 mt -55.92 -41.87 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.678 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -45.89 -30.96 1.91 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.481 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -61.09 -33.16 72.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.559 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 56.1 mmm -75.04 -29.62 60.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.665 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 61' ' ' ILE . . . . . 0.46 ' N ' ' CD1' ' T' ' 61' ' ' ILE . 2.0 mp -89.99 -19.9 7.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -78.58 -19.84 51.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.186 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -80.36 -36.3 34.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.88 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 64' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' T' ' 66' ' ' GLU . 8.5 m -88.19 -32.96 6.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.888 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 65' ' ' ASP . . . . . 0.453 ' C ' ' H ' ' T' ' 67' ' ' ASP . 15.6 m-20 -58.75 78.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.51 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 66' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' T' ' 64' ' ' VAL . 66.8 mm-40 -79.77 33.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.22 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 67' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' T' ' 65' ' ' ASP . 14.1 p-10 -155.84 8.09 0.24 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.564 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.63 81.6 0.03 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 75.7 p -144.37 -7.56 0.69 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.723 0.297 . . . . 0.0 110.638 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 60.01 54.18 39.56 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 44.3 p -153.06 170.99 19.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.768 0.318 . . . . 0.0 110.458 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 89.9 t -145.76 85.33 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 73' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' T' ' 75' ' ' ASP . 11.7 p30 -81.3 164.64 22.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.354 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -53.97 -6.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.786 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 75' ' ' ASP . . . . . 0.514 ' H ' ' C ' ' T' ' 73' ' ' ASP . 63.3 m-20 -80.36 -93.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.87 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -47.67 -12.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 77' ' ' PHE . . . . . 0.5 ' H ' ' C ' ' T' ' 75' ' ' ASP . 79.0 t80 -63.28 -58.67 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.548 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 46.0 mt -47.95 -43.41 29.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.398 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 46.4 t -51.46 -49.32 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 26.8 ttm -46.81 -56.62 5.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.547 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 81' ' ' MET . . . . . 0.543 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -59.07 -58.83 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.638 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 86.5 t -43.64 -41.47 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.851 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -64.89 -72.01 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.544 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 24.9 m -46.12 -33.89 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.662 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 18.8 mmt -68.26 -74.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.636 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -53.0 -20.37 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.664 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -160.42 103.79 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -78.78 148.88 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.574 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' T' T ' 91' ' ' WW7 . . . . . 0.482 H142 ' CE ' ' T' ' 81' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 37.3 mtp . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.95 52.69 14.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.581 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 3' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' T' ' 5' ' ' TYR . 66.6 m-20 -79.97 -55.22 5.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 4' ' ' ILE . . . . . 0.534 ' N ' ' CD1' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.03 -15.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 -179.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' T' T ' 5' ' ' TYR . . . . . 0.525 ' N ' ' O ' ' T' ' 3' ' ' ASP . 57.3 m-85 -89.96 -46.49 8.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.818 0.342 . . . . 0.0 110.467 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -57.41 -40.38 78.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.531 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.83 -31.76 63.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.615 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.51 -39.62 52.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.611 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.19 -22.95 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.566 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -78.24 -25.38 46.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.674 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -75.66 -20.58 58.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.563 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -76.85 118.83 19.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 13' ' ' THR . . . . . . . . . . . . . 3.8 m -62.98 -127.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -139.44 -32.13 0.66 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.781 0.324 . . . . 0.0 110.317 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -67.45 -33.62 75.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.425 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -10.33 59.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -83.07 -12.12 57.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.601 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 18' ' ' ASN . . . . . 0.526 ' N ' HD21 ' T' ' 18' ' ' ASN . 1.0 OUTLIER -67.72 -64.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.926 -179.809 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' T' T ' 19' ' ' GLU . . . . . 0.499 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.0 pm0 -40.49 -42.97 1.74 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.046 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 20' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' T' ' 23' ' ' ALA . 45.1 m-85 -62.87 -67.34 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.443 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -46.8 -36.57 7.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.412 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.0 -29.39 68.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.39 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 23' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -61.82 -53.74 51.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.408 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 24' ' ' PHE . . . . . 0.521 ' O ' ' N ' ' T' ' 27' ' ' PHE . 60.1 m-85 -44.06 -52.9 6.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -43.78 -30.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.639 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 26' ' ' ILE . . . . . 0.402 HD12 HG23 ' T' ' 26' ' ' ILE . 10.6 mm -81.19 -29.69 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.574 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 27' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' T' ' 24' ' ' PHE . 76.3 m-85 -85.12 -64.54 1.14 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.443 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 28' ' ' VAL . . . . . 0.435 ' C ' ' H ' ' T' ' 30' ' ' GLY . 31.4 m -79.52 48.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.71 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.37 31.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.613 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 30' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' T' ' 28' ' ' VAL . . . 173.83 -18.15 0.05 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.02 137.86 57.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 110.65 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.65 -87.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.522 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 33' ' ' ASP . . . . . 0.529 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 3.0 p-10 -49.99 -72.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.495 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 34' ' ' GLY . . . . . 0.529 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 158.32 29.53 0.02 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 88.8 p -86.45 159.52 19.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.819 0.342 . . . . 0.0 110.706 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 36' ' ' ILE . . . . . 0.439 HD13 ' H6 ' ' T' ' 91' ' ' WW7 . 76.6 mt -133.56 88.97 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 37' ' ' SER . . . . . 0.627 ' HG ' ' H ' ' T' ' 38' ' ' THR . 23.2 t -82.65 -159.42 0.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.481 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 38' ' ' THR . . . . . 0.627 ' H ' ' HG ' ' T' ' 37' ' ' SER . 20.8 p -80.14 -1.89 42.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 39' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -83.83 -53.56 5.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -79.32 1.73 24.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.785 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.57 -66.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.282 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -45.9 -44.59 13.48 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -44.25 -44.79 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.663 0.268 . . . . 0.0 110.847 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 44' ' ' VAL . . . . . 0.493 ' C ' ' H ' ' T' ' 46' ' ' ARG . 91.2 t -77.25 -58.38 4.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.73 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 22.3 mmt -49.3 -13.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.528 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 46' ' ' ARG . . . . . 0.493 ' H ' ' C ' ' T' ' 44' ' ' VAL . 77.7 ttt180 -75.02 -33.29 61.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.614 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 26.1 mtt -63.61 -39.54 94.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.607 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 48' ' ' LEU . . . . . 0.497 ' CD1' ' N ' ' T' ' 48' ' ' LEU . 8.3 mp -64.41 -77.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.343 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 49' ' ' GLY . . . . . 0.427 ' O ' ' OE1' ' T' ' 50' ' ' GLN . . . 169.17 33.8 0.02 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 50' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' T' ' 49' ' ' GLY . 28.6 mm100 -138.33 150.18 46.35 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -161.6 59.76 1.09 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.14 -170.47 0.79 Allowed 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.744 2.296 . . . . 0.0 111.923 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.76 152.3 80.23 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.234 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.48 -6.31 18.65 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.211 1.94 . . . . 0.0 111.824 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -81.29 -38.38 26.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.606 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -78.62 -29.38 45.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.649 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.56 -31.09 69.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.478 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 58' ' ' GLN . . . . . 0.411 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.3 tp-100 -61.15 -26.44 67.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.473 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.7 -22.67 64.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.517 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 59.4 mmm -82.01 -28.3 32.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.694 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 61' ' ' ILE . . . . . 0.537 ' N ' ' CD1' ' T' ' 61' ' ' ILE . 1.8 mp -90.63 -27.88 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.396 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.09 -21.42 64.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.308 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -79.25 -39.44 33.06 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.9 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 64' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' T' ' 66' ' ' GLU . 5.5 m -87.51 -14.83 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.758 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 65' ' ' ASP . . . . . 0.488 ' C ' ' H ' ' T' ' 67' ' ' ASP . 48.8 m-20 -62.49 72.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.754 0.312 . . . . 0.0 110.363 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 66' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' T' ' 64' ' ' VAL . 55.5 mm-40 -77.37 22.61 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.21 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 67' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' T' ' 65' ' ' ASP . 11.0 p30 -156.29 9.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.449 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.33 84.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 86.6 p -149.98 -5.76 0.34 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.666 0.27 . . . . 0.0 110.662 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.17 51.28 47.7 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 17.7 p -151.55 121.96 7.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.735 0.303 . . . . 0.0 110.513 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 38.8 t -87.57 73.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 73' ' ' ASP . . . . . 0.488 ' C ' ' H ' ' T' ' 75' ' ' ASP . 3.5 p30 -66.79 162.3 21.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.399 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 74' ' ' PHE . . . . . 0.443 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 57.3 t80 -63.26 1.84 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 75' ' ' ASP . . . . . 0.488 ' H ' ' C ' ' T' ' 73' ' ' ASP . 6.7 m-20 -89.61 -73.56 0.51 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.818 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -66.2 -8.48 24.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.923 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 77' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' T' ' 80' ' ' MET . 87.5 t80 -66.57 -60.3 2.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.525 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 42.4 mt -46.72 -28.74 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.451 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.92 -30.27 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.45 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 80' ' ' MET . . . . . 0.574 ' SD ' H161 ' T' ' 91' ' ' WW7 . 31.5 ttm -54.77 -35.21 63.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.564 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' T' T ' 81' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -79.81 -58.35 3.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.629 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 56.2 t -44.14 -30.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.806 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -76.1 -76.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.59 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 48.8 m -46.39 -25.4 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 10.2 mmt -78.33 -75.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -57.46 -12.94 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -158.49 94.21 1.25 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.584 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -78.96 106.57 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 22.3 p . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.521 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' T' T ' 91' ' ' WW7 . . . . . 0.574 H161 ' SD ' ' T' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 27.4 mtt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 51.14 39.03 22.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' T' ' 5' ' ' TYR . 4.8 m-20 -79.68 -48.17 14.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.659 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 4' ' ' ILE . . . . . 0.547 ' N ' ' CD1' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.09 -15.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.204 -179.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' T' T ' 5' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' T' ' 3' ' ' ASP . 60.5 m-85 -87.57 -65.47 1.01 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.456 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -47.3 -21.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.502 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.26 -40.12 86.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.561 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.65 -15.79 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 62.3 t -76.22 -25.88 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -71.26 -19.4 62.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.545 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -78.05 -29.93 49.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 mt -72.17 119.41 16.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.534 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 13' ' ' THR . . . . . . . . . . . . . 17.8 m -80.71 156.35 26.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.532 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.82 61.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.434 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 15' ' ' GLU . . . . . 0.416 ' O ' ' OE2' ' T' ' 19' ' ' GLU . 34.2 mt-10 -152.1 -40.05 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.462 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.37 6.5 16.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.565 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -97.22 -37.88 9.91 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.468 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 18' ' ' ASN . . . . . 0.576 ' H ' HD21 ' T' ' 18' ' ' ASN . 1.3 m-80 -45.26 -28.07 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.903 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 19' ' ' GLU . . . . . 0.483 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.3 pm0 -78.45 -48.73 14.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.219 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -64.08 -52.43 59.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.425 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -55.13 -27.13 43.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.79 -29.05 58.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.452 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.79 -52.18 66.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.477 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -44.22 -51.03 8.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.606 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 25' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' T' ' 25' ' ' ASP . 2.2 m-20 -46.69 -37.29 8.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.47 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 26' ' ' ILE . . . . . 0.424 HD12 HG23 ' T' ' 26' ' ' ILE . 12.1 mm -71.35 -34.1 52.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.534 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 27' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -77.85 -66.12 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.285 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 12.4 m -81.1 56.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.581 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.42 25.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.449 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 178.1 -17.13 0.03 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.74 130.76 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.469 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -50.48 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.666 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 33' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 10.1 p30 -79.29 -103.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.533 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 34' ' ' GLY . . . . . 0.521 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . -165.24 81.85 0.11 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 43.3 p -145.38 114.05 6.79 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.834 0.349 . . . . 0.0 110.444 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -84.19 100.93 8.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.678 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 37' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' T' ' 38' ' ' THR . 41.2 t -86.52 -168.47 2.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.495 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 38' ' ' THR . . . . . 0.473 ' N ' ' OG ' ' T' ' 37' ' ' SER . 21.8 p -80.02 -5.89 56.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.644 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 39' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -82.11 -52.01 7.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.827 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -79.97 0.56 31.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -71.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.413 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 42' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' T' ' 46' ' ' ARG . . . -49.42 -46.52 36.35 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -43.36 -42.91 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.945 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 44' ' ' VAL . . . . . . . . . . . . . 92.5 t -77.45 -46.11 28.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.696 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 58.8 mtp -72.69 1.1 9.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.644 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 46' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' T' ' 42' ' ' GLY . 66.4 ttt180 -78.83 -32.44 46.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.586 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 61.0 mtm -65.7 -35.35 80.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.646 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 48' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' T' ' 48' ' ' LEU . 8.4 mp -62.83 -76.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.331 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 49' ' ' GLY . . . . . 0.411 ' O ' ' OE1' ' T' ' 50' ' ' GLN . . . 165.5 52.33 0.02 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 50' ' ' GLN . . . . . 0.411 ' OE1' ' O ' ' T' ' 49' ' ' GLY . 17.7 mm100 -140.65 153.65 46.09 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 110.267 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -162.12 60.02 1.05 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.713 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -76.44 -174.91 2.3 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.835 2.357 . . . . 0.0 111.96 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 53' ' ' THR . . . . . 0.488 ' C ' ' H ' ' T' ' 55' ' ' GLU . 0.1 OUTLIER -80.71 152.13 71.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.229 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -71.95 32.69 0.26 Allowed 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.263 1.975 . . . . 0.0 111.822 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 55' ' ' GLU . . . . . 0.488 ' H ' ' C ' ' T' ' 53' ' ' THR . 41.1 tt0 -131.3 -27.02 2.03 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.471 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -79.01 -16.7 56.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.457 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 57' ' ' LEU . . . . . 0.436 ' C ' ' N ' ' T' ' 59' ' ' GLU . 40.8 mt -75.72 -52.41 10.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 58' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -46.16 -18.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.429 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 59' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' T' ' 57' ' ' LEU . 30.2 mt-10 -70.81 -36.01 72.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 60' ' ' MET . . . . . 0.413 ' CE ' H161 ' T' ' 91' ' ' WW7 . 63.0 mmm -74.14 -37.55 64.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.554 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 61' ' ' ILE . . . . . 0.479 ' N ' ' CD1' ' T' ' 61' ' ' ILE . 2.0 mp -76.51 -19.53 14.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -69.63 -63.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.128 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -42.27 -45.86 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.262 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 64' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' T' ' 66' ' ' GLU . 31.6 m -74.28 -44.53 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.043 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 65' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' T' ' 71' ' ' THR . 12.8 m-20 -58.9 79.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.631 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 66' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' T' ' 64' ' ' VAL . 62.4 mm-40 -72.42 -25.18 61.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.147 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 67' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -87.05 -7.37 58.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.533 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 57.9 81.76 0.07 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 37.6 p -142.01 -20.0 0.72 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.658 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.99 47.67 7.48 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 71' ' ' THR . . . . . 0.431 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 76.0 p -149.66 171.25 16.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.71 0.29 . . . . 0.0 110.481 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 63.0 t -144.2 82.63 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 110.518 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 73' ' ' ASP . . . . . 0.527 ' C ' ' H ' ' T' ' 75' ' ' ASP . 15.1 p-10 -82.21 164.07 21.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.289 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -51.68 -8.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 75' ' ' ASP . . . . . 0.527 ' H ' ' C ' ' T' ' 73' ' ' ASP . 2.0 m-20 -79.02 -90.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.88 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -51.91 -10.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.013 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 77' ' ' PHE . . . . . 0.465 ' H ' ' C ' ' T' ' 75' ' ' ASP . 74.8 t80 -64.86 -53.5 45.69 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.535 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 42.9 mt -52.02 -29.27 20.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 22.9 t -70.88 -21.23 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.509 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 80' ' ' MET . . . . . 0.726 ' SD ' H162 ' T' ' 91' ' ' WW7 . 26.7 ttm -72.77 -40.68 65.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.569 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 81' ' ' MET . . . . . 0.514 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -77.19 -56.36 4.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.505 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 97.0 t -44.73 -62.59 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.677 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -47.33 -60.28 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.508 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 69.6 m -51.38 -38.98 56.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.497 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 20.8 mmt -72.16 -71.22 0.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.556 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -50.59 -18.95 0.77 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.639 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -158.98 99.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.632 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' T' T ' 88' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' T' ' 88' ' ' ASP . 27.9 p30 -79.37 129.96 34.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.563 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' T' T ' 91' ' ' WW7 . . . . . 0.726 H162 ' SD ' ' T' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 1' ' ' MET . . . . . 0.416 ' O ' ' OD1' ' T' ' 3' ' ' ASP . 52.6 mtp . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 48.91 36.99 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 3' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' T' ' 5' ' ' TYR . 8.6 m-20 -78.92 -47.52 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.678 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 4' ' ' ILE . . . . . 0.547 ' N ' ' CD1' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.17 -15.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 -179.732 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' T' T ' 5' ' ' TYR . . . . . 0.515 ' N ' ' O ' ' T' ' 3' ' ' ASP . 60.6 m-85 -86.98 -49.37 7.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.505 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -53.35 -42.18 66.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.58 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.38 -37.39 7.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.519 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.65 -30.37 59.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 42.0 t -65.52 -13.67 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.576 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -79.29 -28.0 42.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.506 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -77.02 -23.84 52.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 12' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' T' ' 13' ' ' THR . 12.7 mt -77.6 113.6 15.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 13' ' ' THR . . . . . 0.423 ' O ' ' O ' ' T' ' 12' ' ' LEU . 3.5 m -60.55 -128.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 14' ' ' GLU . . . . . 0.404 ' H ' ' CG2' ' T' ' 13' ' ' THR . 44.0 mt-10 -137.3 -14.63 1.5 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.847 0.356 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 15' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -79.85 -28.7 40.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.395 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -10.26 59.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.503 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -77.73 -46.87 20.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.372 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 18' ' ' ASN . . . . . 0.677 ' H ' HD21 ' T' ' 18' ' ' ASN . 1.1 m-80 -54.39 -31.48 54.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.582 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -59.63 -45.6 91.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 20' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' T' ' 23' ' ' ALA . 78.5 m-85 -73.54 -57.09 4.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -45.08 -30.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.735 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.91 -32.94 74.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.486 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 23' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -67.09 -48.73 67.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.609 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -45.27 -51.32 11.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.45 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -47.06 -33.63 5.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.449 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 13.5 mm -74.33 -39.93 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.561 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 27' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -70.5 -63.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.276 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 15.8 m -86.94 57.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.631 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.23 10.99 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.698 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 176.53 22.3 0.03 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.32 150.7 31.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.589 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -53.24 -83.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.521 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 33' ' ' ASP . . . . . 0.522 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 5.4 p-10 -77.11 -67.76 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.555 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 34' ' ' GLY . . . . . 0.522 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 165.31 28.16 0.02 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 64.3 p -86.28 168.88 13.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.509 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 64.6 mt -132.21 154.61 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.318 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 37' ' ' SER . . . . . 0.507 ' C ' ' H ' ' T' ' 39' ' ' LYS . 8.6 t -159.92 169.91 22.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 4.9 p -45.89 -14.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 39' ' ' LYS . . . . . 0.507 ' H ' ' C ' ' T' ' 37' ' ' SER . 88.2 mttt -74.49 -57.81 3.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.791 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -88.72 4.4 47.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -69.64 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.343 . . . . 0.0 110.435 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 42' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' T' ' 45' ' ' MET . . . -52.68 -44.82 60.44 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -43.31 -37.28 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.642 0.258 . . . . 0.0 111.01 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 44' ' ' VAL . . . . . . . . . . . . . 92.8 t -79.95 -32.12 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.644 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 45' ' ' MET . . . . . 0.403 ' N ' ' O ' ' T' ' 42' ' ' GLY . 1.2 mmt -74.35 -2.53 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.604 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -78.2 -47.25 18.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.552 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 54.6 mtm -47.15 -52.13 16.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.604 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 48' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' T' ' 48' ' ' LEU . 9.9 mp -54.79 -83.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.296 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 49' ' ' GLY . . . . . 0.422 ' O ' ' OE1' ' T' ' 50' ' ' GLN . . . 170.48 41.04 0.03 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 50' ' ' GLN . . . . . 0.422 ' OE1' ' O ' ' T' ' 49' ' ' GLY . 18.1 mm100 -136.72 160.12 39.78 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -171.9 62.18 0.33 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -77.27 177.41 8.9 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.678 2.252 . . . . 0.0 112.039 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.12 153.04 92.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.173 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.74 -7.71 21.3 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.311 2.007 . . . . 0.0 111.765 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -78.81 -37.61 40.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.46 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -79.7 -28.04 40.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.577 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 57' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' T' ' 59' ' ' GLU . 17.5 mt -73.21 -52.23 14.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.5 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 58' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 8.1 tp-100 -43.49 -18.73 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 59' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' T' ' 57' ' ' LEU . 76.5 mt-10 -60.86 -65.23 0.72 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.463 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 62.5 mmm -45.75 -32.91 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.612 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 61' ' ' ILE . . . . . 0.485 ' N ' ' CD1' ' T' ' 61' ' ' ILE . 1.9 mp -76.87 -62.39 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -46.21 -14.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 63' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' T' ' 61' ' ' ILE . 72.3 mt-10 -81.53 -91.44 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 64' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' T' ' 66' ' ' GLU . 31.1 m -43.81 -20.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 65' ' ' ASP . . . . . 0.522 ' C ' ' H ' ' T' ' 67' ' ' ASP . 12.4 m-20 -59.0 82.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.377 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 66' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' T' ' 64' ' ' VAL . 50.9 mm-40 -76.51 28.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.262 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 67' ' ' ASP . . . . . 0.522 ' H ' ' C ' ' T' ' 65' ' ' ASP . 9.4 p30 -156.48 10.74 0.25 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.461 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.41 30.7 2.12 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 95.1 p -77.94 -15.91 58.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.331 . . . . 0.0 110.663 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.57 42.83 79.51 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 52.5 p -152.33 -171.47 3.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.808 0.337 . . . . 0.0 110.541 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 89.2 t -149.45 87.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.442 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 32.8 p30 -73.79 -162.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.384 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 74' ' ' PHE . . . . . 0.404 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 47.6 t80 -88.5 6.31 38.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.761 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 75' ' ' ASP . . . . . 0.495 ' C ' ' H ' ' T' ' 77' ' ' PHE . 16.7 m-20 -95.29 -88.23 0.26 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.993 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -46.32 -13.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.069 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 77' ' ' PHE . . . . . 0.495 ' H ' ' C ' ' T' ' 75' ' ' ASP . 70.3 t80 -65.91 -66.21 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.449 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 34.8 mt -46.7 -21.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.472 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 5.2 t -77.76 -34.31 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.561 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 80' ' ' MET . . . . . 0.682 ' SD ' H151 ' T' ' 91' ' ' WW7 . 27.7 ttm -62.09 -33.88 75.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.644 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' T' T ' 81' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -79.23 -60.31 2.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.727 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 96.2 t -44.79 -50.62 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.682 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -59.15 -66.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.497 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 59.6 m -48.37 -34.54 10.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.687 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 63.8 mtt -77.9 -72.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.609 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -47.1 -23.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.558 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -160.58 97.9 1.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.524 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 40.9 p-10 -77.94 142.84 38.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.509 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.52 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' T' T ' 91' ' ' WW7 . . . . . 0.682 H151 ' SD ' ' T' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 70.3 mtp . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 48.15 61.66 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.47 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 3' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' T' ' 5' ' ' TYR . 62.1 m-20 -81.2 -61.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.753 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 4' ' ' ILE . . . . . 0.547 ' N ' ' CD1' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -43.85 -15.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.225 -179.665 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' T' T ' 5' ' ' TYR . . . . . 0.52 ' N ' ' O ' ' T' ' 3' ' ' ASP . 56.0 m-85 -90.56 -46.85 8.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.744 0.306 . . . . 0.0 110.449 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -68.8 -23.16 64.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.35 -31.9 72.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.611 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.36 -40.17 37.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.495 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 88.5 t -51.5 -25.78 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.57 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -75.47 -26.05 57.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.624 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -77.49 -26.83 51.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 mt -72.47 119.23 16.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.63 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 13' ' ' THR . . . . . 0.51 ' C ' ' H ' ' T' ' 15' ' ' GLU . 6.2 m -77.38 160.04 29.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 14' ' ' GLU . . . . . 0.516 ' O ' ' ND2' ' T' ' 18' ' ' ASN . 71.5 mt-10 -65.05 4.12 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.591 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 15' ' ' GLU . . . . . 0.51 ' H ' ' C ' ' T' ' 13' ' ' THR . 41.1 mt-10 -85.47 -52.92 5.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 16' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -74.82 -11.15 60.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.906 -179.707 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' T' T ' 17' ' ' LYS . . . . . 0.41 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 85.5 mttt -78.47 -43.12 27.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.35 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 18' ' ' ASN . . . . . 0.616 ' N ' HD21 ' T' ' 18' ' ' ASN . 0.8 OUTLIER -60.42 -19.69 57.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.504 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -74.73 -40.48 61.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.557 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 20' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' T' ' 23' ' ' ALA . 62.7 m-85 -74.97 -54.48 7.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.526 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -46.51 -22.31 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.419 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 22' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' T' ' 20' ' ' PHE . . . -77.08 -34.48 56.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.335 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 23' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -61.79 -52.21 65.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.396 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -43.23 -51.28 6.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.631 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 25' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' T' ' 25' ' ' ASP . 0.8 OUTLIER -47.5 -41.12 20.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.518 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' T' T ' 26' ' ' ILE . . . . . 0.432 HD13 HG23 ' T' ' 26' ' ' ILE . 12.6 mm -64.45 -34.72 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 27' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -77.03 -70.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.34 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 15.9 m -81.93 56.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.571 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.94 9.05 7.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.578 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -168.93 25.97 0.12 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.56 159.57 28.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.754 0.311 . . . . 0.0 110.582 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.97 -70.65 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 33' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' T' ' 33' ' ' ASP . 8.9 p30 -80.07 -74.84 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.53 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 34' ' ' GLY . . . . . 0.517 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 158.89 74.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 11.1 p -155.41 134.03 11.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.816 0.341 . . . . 0.0 110.603 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 69.2 mt -78.63 160.57 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.661 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 37' ' ' SER . . . . . 0.486 ' C ' ' H ' ' T' ' 39' ' ' LYS . 17.1 t -164.16 162.04 22.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.654 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 4.7 p -47.8 -14.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.697 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 39' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' T' ' 37' ' ' SER . 94.3 mttt -78.32 -53.04 7.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -86.27 -5.47 59.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -66.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.428 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.56 -38.96 5.63 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -45.75 -68.39 0.2 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.827 0.346 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 44' ' ' VAL . . . . . . . . . . . . . 92.8 t -50.28 -46.23 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 18.9 mmt -54.95 -16.23 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.767 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -64.95 -53.8 40.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.557 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 53.7 mtm -46.98 -35.57 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.564 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 48' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' T' ' 48' ' ' LEU . 7.2 mp -69.62 -80.6 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 164.97 36.78 0.02 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -141.11 154.23 45.81 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.842 0.354 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -166.0 60.42 0.63 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.641 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.95 -173.95 1.87 Allowed 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.695 2.264 . . . . 0.0 111.994 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 53' ' ' THR . . . . . 0.492 ' HG1' ' H ' ' T' ' 55' ' ' GLU . 0.1 OUTLIER -77.6 152.96 81.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.21 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.33 -5.24 14.51 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.241 1.96 . . . . 0.0 111.748 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 55' ' ' GLU . . . . . 0.492 ' H ' ' HG1' ' T' ' 53' ' ' THR . 64.8 tt0 -80.06 -33.12 39.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.53 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -80.19 -52.13 8.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.595 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 20.8 mt -52.19 -43.89 64.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.627 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 58' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' T' ' 62' ' ' ASP . 7.2 tp-100 -43.47 -35.74 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.567 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -50.96 -49.95 59.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.297 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 48.9 mmm -58.79 -41.31 86.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.335 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 61' ' ' ILE . . . . . 0.5 ' N ' ' CD1' ' T' ' 61' ' ' ILE . 2.1 mp -80.86 -13.91 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.489 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 62' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' T' ' 58' ' ' GLN . 27.1 t70 -71.56 -72.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.361 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -39.33 -42.6 1.06 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.665 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 64' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' T' ' 66' ' ' GLU . 25.0 m -74.35 -45.0 47.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.239 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 65' ' ' ASP . . . . . 0.43 ' OD1' ' OE2' ' T' ' 76' ' ' GLU . 12.7 m-20 -59.78 78.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.468 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 66' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' T' ' 64' ' ' VAL . 67.5 mm-40 -71.55 -30.43 65.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.305 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 67' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' T' ' 67' ' ' ASP . 14.5 p30 -79.91 -19.41 48.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.462 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.31 33.25 49.41 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 57.4 p -82.65 -24.19 33.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.71 0.29 . . . . 0.0 110.533 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.67 35.19 26.07 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 71' ' ' THR . . . . . 0.416 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 80.6 p -149.76 -179.53 7.19 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.835 0.35 . . . . 0.0 110.712 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 90.6 t -134.94 88.58 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 73' ' ' ASP . . . . . 0.535 ' C ' ' H ' ' T' ' 75' ' ' ASP . 37.0 p30 -83.22 164.76 19.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.506 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -55.11 -4.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 75' ' ' ASP . . . . . 0.535 ' H ' ' C ' ' T' ' 73' ' ' ASP . 1.0 OUTLIER -82.24 -82.76 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.971 -179.786 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' T' T ' 76' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' T' ' 65' ' ' ASP . 19.4 pt-20 -63.41 2.35 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.988 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 77' ' ' PHE . . . . . 0.505 ' H ' ' C ' ' T' ' 75' ' ' ASP . 49.8 t80 -75.33 -44.47 45.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.356 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 78' ' ' LEU . . . . . 0.446 ' O ' ' CG2' ' T' ' 82' ' ' VAL . 39.6 mt -72.29 11.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.433 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 79' ' ' VAL . . . . . 0.484 ' H ' ' C ' ' T' ' 77' ' ' PHE . 64.7 t -105.99 -42.4 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 80' ' ' MET . . . . . 0.556 ' CE ' HN21 ' T' ' 91' ' ' WW7 . 15.4 ttm -61.83 -41.95 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.883 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 81' ' ' MET . . . . . 0.427 ' HE1' H131 ' T' ' 91' ' ' WW7 . 9.8 mtt -78.89 -62.08 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.981 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 82' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' T' ' 78' ' ' LEU . 85.3 t -41.47 -38.84 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.965 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -75.88 -58.94 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.512 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 61.4 m -52.12 -27.35 13.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 11.7 mmt -72.3 -74.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.551 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -45.88 -25.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -159.23 112.71 2.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.508 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -78.32 112.81 15.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.581 179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' T' T ' 91' ' ' WW7 . . . . . 0.556 HN21 ' CE ' ' T' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 56.4 mtp . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 47.29 37.72 6.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 3' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' T' ' 5' ' ' TYR . 29.3 m-20 -79.67 -47.46 15.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.682 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 4' ' ' ILE . . . . . 0.543 ' N ' ' CD1' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.15 -15.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 -179.723 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' T' T ' 5' ' ' TYR . . . . . 0.522 ' N ' ' O ' ' T' ' 3' ' ' ASP . 64.5 m-85 -88.66 -49.94 6.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.838 0.352 . . . . 0.0 110.499 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -46.58 -29.5 1.85 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.548 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.17 96.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.657 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.97 -14.2 58.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.717 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 90.0 t -77.56 -44.38 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.66 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -60.7 -18.73 56.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.617 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -78.47 -22.99 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 mt -79.82 121.76 25.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 13' ' ' THR . . . . . 0.527 ' C ' ' H ' ' T' ' 15' ' ' GLU . 28.7 m -75.97 158.67 31.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.428 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 14' ' ' GLU . . . . . 0.454 ' O ' ' ND2' ' T' ' 18' ' ' ASN . 31.3 mt-10 -66.31 5.86 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.64 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 15' ' ' GLU . . . . . 0.527 ' H ' ' C ' ' T' ' 13' ' ' THR . 35.7 mt-10 -88.03 -54.67 4.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.929 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 16' ' ' GLN . . . . . 0.487 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -71.15 -11.25 60.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.086 -179.521 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' T' T ' 17' ' ' LYS . . . . . 0.487 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 79.9 mttt -74.16 -36.81 64.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.441 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 18' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' T' ' 14' ' ' GLU . 1.7 m-80 -70.28 -18.94 63.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.566 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -71.36 -37.27 71.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.655 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 20' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' T' ' 23' ' ' ALA . 72.4 m-85 -76.95 -58.39 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.662 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -43.98 -21.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.655 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 22' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' T' ' 20' ' ' PHE . . . -75.52 -36.44 60.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.366 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 23' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -67.68 -41.09 84.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.397 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -50.24 -56.92 9.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.22 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -41.95 -32.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 26' ' ' ILE . . . . . 0.417 HD13 HG23 ' T' ' 26' ' ' ILE . 11.0 mm -74.89 -53.93 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.67 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 27' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -56.46 -13.94 2.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 6.9 m -149.6 56.66 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.443 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 pp -82.08 18.52 1.34 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.62 -28.15 0.02 OUTLIER Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.62 140.62 34.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 0.0 110.627 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -48.07 -91.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 33' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 10.5 p30 -55.54 -102.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.53 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 34' ' ' GLY . . . . . 0.502 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . -176.5 23.04 0.05 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 62.5 p -80.47 125.7 30.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.491 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 36' ' ' ILE . . . . . 0.421 ' CD1' ' H6 ' ' T' ' 91' ' ' WW7 . 40.9 mt -88.62 152.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.686 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 37' ' ' SER . . . . . 0.513 ' C ' ' H ' ' T' ' 39' ' ' LYS . 10.5 t -156.98 165.25 36.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.505 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 34.7 p -50.24 -10.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.798 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 39' ' ' LYS . . . . . 0.513 ' H ' ' C ' ' T' ' 37' ' ' SER . 89.8 mttt -77.6 -56.47 4.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.667 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -86.52 -3.2 58.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.772 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.32 -64.3 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.392 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.83 -39.31 4.82 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 43' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' T' ' 46' ' ' ARG . 91.1 mttt -46.74 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 0.0 110.709 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 44' ' ' VAL . . . . . . . . . . . . . 86.4 t -43.91 -40.78 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 19.5 mmt -67.57 -27.59 67.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.563 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 46' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' T' ' 43' ' ' LYS . 70.1 ttt180 -48.84 -35.62 15.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.489 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 68.6 mtm -67.69 -40.87 84.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 48' ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' T' ' 48' ' ' LEU . 7.2 mp -70.11 -2.4 12.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.12 46.39 9.3 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -142.17 150.04 40.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.875 0.369 . . . . 0.0 110.259 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -171.11 58.98 0.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.06 -174.7 2.04 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.772 2.315 . . . . 0.0 111.863 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.61 153.28 95.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.053 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.28 -4.97 15.45 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.292 1.994 . . . . 0.0 111.767 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -81.5 -30.76 33.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -79.2 -34.5 42.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.702 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 42.3 mt -70.82 -48.59 53.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.669 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 58' ' ' GLN . . . . . 0.423 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.4 tp-100 -45.25 -34.02 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.574 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -56.64 -33.67 66.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.427 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 49.0 mmm -76.55 -36.93 57.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.561 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 61' ' ' ILE . . . . . 0.461 ' N ' ' CD1' ' T' ' 61' ' ' ILE . 2.1 mp -81.96 -12.41 12.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.222 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.66 -50.63 11.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.975 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -52.09 -41.91 62.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.874 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 64' ' ' VAL . . . . . 0.498 ' O ' ' N ' ' T' ' 66' ' ' GLU . 31.6 m -77.2 -45.68 29.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.773 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 65' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -59.29 80.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.446 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 66' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' T' ' 64' ' ' VAL . 10.5 mm-40 -63.4 -33.14 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.351 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 67' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' T' ' 67' ' ' ASP . 23.0 p-10 -82.34 -23.47 35.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.483 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.9 33.3 42.03 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 19.0 p -79.87 -24.61 41.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 110.631 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.15 38.28 13.48 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 54.6 p -152.49 126.1 8.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.785 0.326 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 97.3 t -83.7 88.66 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 73' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' T' ' 75' ' ' ASP . 5.6 p30 -71.45 174.33 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.234 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 74' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 60.2 t80 -77.72 5.1 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.663 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 75' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' T' ' 73' ' ' ASP . 6.0 m-20 -95.74 -72.16 0.64 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.819 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -62.4 -3.81 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.972 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 77' ' ' PHE . . . . . 0.4 ' H ' ' C ' ' T' ' 75' ' ' ASP . 81.9 t80 -70.72 -57.68 4.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.358 . . . . 0.0 110.351 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 31.1 mt -52.51 -20.08 2.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.374 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 56.8 t -79.84 -23.51 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.516 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 80' ' ' MET . . . . . 0.646 ' SD ' H151 ' T' ' 91' ' ' WW7 . 26.8 ttm -72.5 -39.56 67.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.634 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' T' T ' 81' ' ' MET . . . . . 0.548 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -76.32 -59.6 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.657 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 99.2 t -44.66 -45.16 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.759 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -70.63 -60.52 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.552 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 42.3 m -46.29 -41.37 13.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.592 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 64.8 mtt -67.06 -74.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.643 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -61.45 -70.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -73.01 63.73 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -66.36 130.49 43.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 20.8 p . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.61 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' T' T ' 91' ' ' WW7 . . . . . 0.646 H151 ' SD ' ' T' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 50.8 mtp . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 52.75 43.36 31.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 3' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' T' ' 5' ' ' TYR . 24.3 m-20 -79.71 -50.95 9.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 4' ' ' ILE . . . . . 0.539 ' N ' ' CD1' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.0 -15.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.187 -179.735 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' T' T ' 5' ' ' TYR . . . . . 0.526 ' N ' ' O ' ' T' ' 3' ' ' ASP . 58.8 m-85 -89.26 -58.3 2.58 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.828 0.347 . . . . 0.0 110.431 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -52.62 -36.62 56.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.495 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.94 -35.47 45.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.545 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.45 -34.21 67.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.28 -20.92 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.499 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -75.93 -21.9 56.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.508 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -74.94 -24.26 58.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.498 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.16 122.67 23.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.54 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 13' ' ' THR . . . . . . . . . . . . . 9.9 m -78.82 157.62 28.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -71.12 60.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.543 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 15' ' ' GLU . . . . . 0.424 ' O ' ' OE2' ' T' ' 19' ' ' GLU . 57.1 mt-10 -151.77 -45.78 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.05 9.4 5.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.564 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -97.78 -39.34 9.08 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.524 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 18' ' ' ASN . . . . . 0.587 ' H ' HD21 ' T' ' 18' ' ' ASN . 1.2 m-80 -44.96 -25.91 0.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 19' ' ' GLU . . . . . 0.511 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.3 pm0 -80.88 -51.5 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.437 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -59.88 -34.02 72.61 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.381 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -77.47 -28.86 52.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.466 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.24 -6.8 57.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.425 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.06 -56.07 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.51 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -45.6 -49.47 14.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.545 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.59 -42.92 7.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.778 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 mm -59.79 -64.42 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.627 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 27' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -45.58 -68.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.593 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 13.7 m -83.56 49.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.608 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 29' ' ' LEU . . . . . 0.419 ' C ' ' CD1' ' T' ' 29' ' ' LEU . 2.0 pp -69.55 -0.96 7.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.022 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.43 25.0 0.07 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.76 154.03 34.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.44 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -46.9 -87.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 33' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 8.5 p30 -81.34 -102.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.56 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 34' ' ' GLY . . . . . 0.508 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . -164.08 78.22 0.14 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 90.5 p -154.11 126.09 7.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.841 0.353 . . . . 0.0 110.496 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 36' ' ' ILE . . . . . 0.404 HD11 HG21 ' T' ' 36' ' ' ILE . 62.7 mt -78.47 157.37 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.523 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 37' ' ' SER . . . . . 0.464 ' C ' ' H ' ' T' ' 39' ' ' LYS . 11.7 t -160.06 162.43 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 30.8 p -46.64 -16.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.612 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 39' ' ' LYS . . . . . 0.464 ' H ' ' C ' ' T' ' 37' ' ' SER . 93.2 mttt -76.12 -55.02 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.619 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -84.15 -7.19 59.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.626 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -70.2 0.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.24 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.23 -37.2 10.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -47.18 -43.34 21.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 110.655 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 44' ' ' VAL . . . . . 0.412 ' C ' ' H ' ' T' ' 46' ' ' ARG . 98.9 t -76.31 -53.73 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 56.4 mtp -57.74 -9.26 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.612 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 46' ' ' ARG . . . . . 0.412 ' H ' ' C ' ' T' ' 44' ' ' VAL . 66.1 ttt180 -64.84 -45.83 84.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.616 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 48.9 mtt -51.57 -34.24 35.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.447 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 48' ' ' LEU . . . . . 0.53 ' CD1' ' N ' ' T' ' 48' ' ' LEU . 7.2 mp -78.99 10.4 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.358 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.55 -5.33 30.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -81.76 133.92 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.561 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 51' ' ' ASN . . . . . 0.51 ' C ' HD21 ' T' ' 51' ' ' ASN . 0.1 OUTLIER -161.16 59.58 1.12 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.6 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.44 -170.3 0.79 Allowed 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.785 2.323 . . . . 0.0 111.865 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 53' ' ' THR . . . . . 0.42 ' CG2' ' OE2' ' T' ' 56' ' ' GLU . 0.1 OUTLIER -72.81 152.55 91.21 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.084 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.74 -6.35 18.37 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.221 1.947 . . . . 0.0 111.696 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -81.5 -29.98 33.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.487 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 56' ' ' GLU . . . . . 0.42 ' OE2' ' CG2' ' T' ' 53' ' ' THR . 43.5 mt-10 -77.89 -40.45 39.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.65 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.29 -48.89 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.565 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 58' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' T' ' 62' ' ' ASP . 7.6 tp-100 -45.5 -30.65 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.628 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.63 -34.67 71.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.481 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 59.4 mmm -75.03 -39.37 61.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.58 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 61' ' ' ILE . . . . . 0.515 ' N ' ' CD1' ' T' ' 61' ' ' ILE . 1.9 mp -79.59 -24.66 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.431 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 62' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' T' ' 58' ' ' GLN . 14.3 t70 -62.05 -61.9 2.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.86 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -47.36 -70.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 64' ' ' VAL . . . . . 0.514 ' O ' ' N ' ' T' ' 66' ' ' GLU . 31.7 m -43.98 -43.87 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 65' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' T' ' 71' ' ' THR . 26.7 m-20 -62.39 73.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.489 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 66' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' T' ' 64' ' ' VAL . 67.6 mm-40 -80.59 37.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.454 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 67' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' T' ' 65' ' ' ASP . 11.0 p-10 -158.39 17.78 0.22 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.612 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.42 90.21 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 69' ' ' SER . . . . . 0.692 ' HG ' ' H ' ' T' ' 71' ' ' THR . 54.7 p -150.0 -29.88 0.22 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.799 0.333 . . . . 0.0 110.544 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 70' ' ' GLY . . . . . 0.438 ' N ' ' HG ' ' T' ' 69' ' ' SER . . . 79.32 3.76 88.71 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 71' ' ' THR . . . . . 0.692 ' H ' ' HG ' ' T' ' 69' ' ' SER . 31.0 p -107.37 172.63 6.72 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.872 0.368 . . . . 0.0 110.476 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 96.0 t -139.68 88.31 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.347 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 50.9 p30 -72.44 -168.42 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.336 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 74' ' ' PHE . . . . . 0.512 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 45.8 t80 -84.23 11.85 7.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.668 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 75' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -98.78 -94.53 0.24 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 76' ' ' GLU . . . . . 0.413 ' OE2' ' OD1' ' T' ' 65' ' ' ASP . 20.2 pt-20 -42.34 -25.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.166 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 77' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -50.38 -40.06 48.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.342 . . . . 0.0 110.508 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 34.1 mt -78.69 -20.96 48.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.311 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 45.4 t -78.77 -9.45 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.647 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 80' ' ' MET . . . . . 0.657 ' CE ' H162 ' T' ' 91' ' ' WW7 . 37.9 ttp -77.04 -54.58 6.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.998 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 81' ' ' MET . . . . . 0.67 ' SD ' H122 ' T' ' 91' ' ' WW7 . 27.7 mtm -79.71 -53.01 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 82.1 t -41.55 -34.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.897 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -78.36 -39.17 40.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 84' ' ' SER . . . . . 0.418 ' N ' ' O ' ' T' ' 81' ' ' MET . 65.7 m -77.32 -20.2 55.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.549 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 39.3 mtt -80.04 -70.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.576 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -47.47 -27.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.609 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -159.33 106.31 1.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.559 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -78.39 157.75 28.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.577 179.893 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' T' T ' 91' ' ' WW7 . . . . . 0.67 H122 ' SD ' ' T' ' 81' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 70.0 mtp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 47.04 60.74 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' T' ' 5' ' ' TYR . 34.8 m-20 -80.37 -61.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.688 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 4' ' ' ILE . . . . . 0.538 ' N ' ' CD1' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.01 -15.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.212 -179.766 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' T' T ' 5' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' T' ' 3' ' ' ASP . 57.4 m-85 -91.54 -56.91 2.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.835 0.35 . . . . 0.0 110.522 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -51.79 -19.45 1.68 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.51 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.96 -39.08 69.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.535 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.65 -40.24 63.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 61.3 t -51.8 -29.66 11.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.487 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -73.99 -23.87 59.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.564 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -78.24 -22.84 47.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 mt -78.32 110.53 13.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 13' ' ' THR . . . . . 0.52 ' C ' ' H ' ' T' ' 15' ' ' GLU . 5.6 m -71.46 159.51 34.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.437 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 14' ' ' GLU . . . . . 0.461 ' O ' ' ND2' ' T' ' 18' ' ' ASN . 49.7 mt-10 -67.51 7.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.716 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 15' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' T' ' 13' ' ' THR . 47.5 mt-10 -86.99 -48.91 7.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 16' ' ' GLN . . . . . 0.521 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -79.55 -14.68 58.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 -179.62 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' T' T ' 17' ' ' LYS . . . . . 0.521 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 79.8 mttt -67.61 -39.58 84.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.918 0.39 . . . . 0.0 110.297 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 18' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' T' ' 14' ' ' GLU . 1.9 m-80 -55.49 -28.24 53.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -66.31 -47.58 73.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 20' ' ' PHE . . . . . 0.511 ' O ' ' N ' ' T' ' 22' ' ' ALA . 56.8 m-85 -70.18 -59.5 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.538 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -41.26 -21.17 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.796 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 22' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -79.4 -40.31 30.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.396 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 23' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -54.37 -43.1 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.431 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 24' ' ' PHE . . . . . 0.5 ' CZ ' ' CD2' ' T' ' 77' ' ' PHE . 48.8 m-85 -45.5 -57.83 3.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.382 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -47.22 -51.58 18.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.685 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 26' ' ' ILE . . . . . 0.427 HG23 HD12 ' T' ' 26' ' ' ILE . 11.2 mm -51.6 -48.25 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.591 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 27' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -67.21 -69.38 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.192 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 28' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' T' ' 35' ' ' SER . 9.4 m -88.26 63.84 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.466 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.02 29.08 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.024 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 163.21 25.65 0.02 OUTLIER Glycine 0 CA--C 1.525 0.662 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.361 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.71 177.8 7.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.818 0.342 . . . . 0.0 110.523 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -79.36 -78.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 33' ' ' ASP . . . . . 0.523 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 12.9 p-10 -80.14 -69.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 34' ' ' GLY . . . . . 0.523 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 163.38 29.72 0.02 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 35' ' ' SER . . . . . 0.463 ' O ' ' CG1' ' T' ' 28' ' ' VAL . 94.0 p -85.75 165.63 16.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.805 0.336 . . . . 0.0 110.543 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 67.7 mt -131.47 160.12 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.285 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 37' ' ' SER . . . . . 0.493 ' C ' ' H ' ' T' ' 39' ' ' LYS . 24.6 t -159.57 176.64 11.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.62 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 38' ' ' THR . . . . . 0.42 ' N ' ' OG ' ' T' ' 37' ' ' SER . 6.8 p -59.93 -0.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 39' ' ' LYS . . . . . 0.493 ' H ' ' C ' ' T' ' 37' ' ' SER . 91.1 mttt -83.9 -60.56 2.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.888 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -83.22 6.44 19.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.066 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.86 -71.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.397 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.98 -44.69 7.41 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -43.68 -40.23 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.701 0.286 . . . . 0.0 111.002 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 44' ' ' VAL . . . . . 0.512 ' C ' ' H ' ' T' ' 46' ' ' ARG . 87.5 t -79.95 -59.52 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.723 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 59.2 mtp -55.63 -5.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.645 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 46' ' ' ARG . . . . . 0.512 ' H ' ' C ' ' T' ' 44' ' ' VAL . 70.1 ttt180 -80.07 -52.29 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.612 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 60.2 mtm -45.02 -28.62 0.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.653 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 48' ' ' LEU . . . . . 0.529 ' CD1' ' N ' ' T' ' 48' ' ' LEU . 7.2 mp -70.71 -60.12 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.238 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 158.49 -12.81 0.23 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -83.67 165.87 18.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 0.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 51' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' T' ' 51' ' ' ASN . 0.7 OUTLIER -167.85 58.76 0.42 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.585 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.04 172.0 17.23 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.752 2.301 . . . . 0.0 111.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 53' ' ' THR . . . . . 0.688 ' HG1' ' H ' ' T' ' 55' ' ' GLU . 0.1 OUTLIER -77.69 153.34 80.91 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.127 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.42 -9.83 21.71 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 122.302 2.001 . . . . 0.0 111.657 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 55' ' ' GLU . . . . . 0.688 ' H ' ' HG1' ' T' ' 53' ' ' THR . 86.8 tt0 -83.09 -33.58 26.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.557 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -81.62 -30.02 33.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 57' ' ' LEU . . . . . 0.419 ' C ' ' N ' ' T' ' 59' ' ' GLU . 17.2 mt -68.71 -46.23 69.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 58' ' ' GLN . . . . . 0.423 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.9 tp-100 -46.63 -20.66 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.334 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 59' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' T' ' 57' ' ' LEU . 72.2 mt-10 -66.27 -37.36 85.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.486 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 55.2 mmm -70.51 -35.54 73.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 61' ' ' ILE . . . . . 0.531 ' N ' ' CD1' ' T' ' 61' ' ' ILE . 1.9 mp -77.84 -13.6 14.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.362 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 62' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' T' ' 64' ' ' VAL . 10.5 t70 -81.29 -42.04 21.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.845 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.7 29.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.855 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 64' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' T' ' 66' ' ' GLU . 10.9 m -154.01 -34.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.457 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 65' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' T' ' 71' ' ' THR . 16.1 m-20 -61.88 73.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.417 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 66' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' T' ' 64' ' ' VAL . 34.4 mm-40 -66.83 -31.33 71.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.386 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -84.49 2.93 38.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.532 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 45.73 83.71 0.02 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.761 -0.935 . . . . 0.0 110.761 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 20.8 p -142.72 -12.47 0.77 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.73 0.3 . . . . 0.0 110.682 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.68 44.29 49.2 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 71' ' ' THR . . . . . 0.401 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 59.0 p -151.87 -168.44 3.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 0.0 110.443 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 72' ' ' VAL . . . . . 0.417 HG13 ' H6 ' ' T' ' 91' ' ' WW7 . 25.1 t -147.47 73.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.543 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 41.0 p30 -60.16 -162.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.326 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 74' ' ' PHE . . . . . 0.525 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 45.7 t80 -86.6 -4.27 59.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.652 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 75' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' T' ' 77' ' ' PHE . 4.7 m-20 -81.22 -88.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -46.51 -14.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.738 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 77' ' ' PHE . . . . . 0.792 ' CE2' ' H7 ' ' T' ' 91' ' ' WW7 . 29.3 t80 -46.74 -53.87 10.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.493 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.64 -49.09 57.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.501 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -46.59 -21.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.682 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 80' ' ' MET . . . . . 0.554 ' SD ' H152 ' T' ' 91' ' ' WW7 . 50.4 ttm -70.84 -62.76 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.579 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 81' ' ' MET . . . . . 0.415 ' SD ' ' N ' ' T' ' 81' ' ' MET . 1.8 mpt? -70.59 -47.56 59.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.618 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 90.4 t -44.38 -49.32 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.762 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -68.23 -62.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 69.1 m -46.85 -31.61 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.591 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 7.3 mmt -77.93 -69.23 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.624 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -50.73 -22.88 2.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.623 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -158.13 100.71 1.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.547 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' T' T ' 88' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' T' ' 88' ' ' ASP . 1.5 p30 -78.37 125.42 29.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.542 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.577 179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' T' T ' 91' ' ' WW7 . . . . . 0.792 ' H7 ' ' CE2' ' T' ' 77' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 41.2 mtp . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 52.31 48.65 22.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.519 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 3' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' T' ' 5' ' ' TYR . 13.5 m-20 -80.01 -53.29 6.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 4' ' ' ILE . . . . . 0.54 ' N ' ' CD1' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.0 -15.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.762 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' T' T ' 5' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' T' ' 3' ' ' ASP . 58.1 m-85 -89.65 -39.56 13.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.864 0.364 . . . . 0.0 110.466 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 6' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' T' ' 3' ' ' ASP . 10.1 mmmt -60.64 -49.42 77.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.374 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.67 -32.05 7.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.552 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.5 67.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 18.8 t -72.37 -31.71 39.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.51 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -61.71 -24.27 66.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.582 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -77.42 -32.23 54.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 17.0 mt -72.55 125.37 27.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 13' ' ' THR . . . . . 0.521 ' C ' ' H ' ' T' ' 15' ' ' GLU . 8.8 m -78.97 157.85 28.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 14' ' ' GLU . . . . . 0.468 ' O ' ' ND2' ' T' ' 18' ' ' ASN . 59.6 mt-10 -63.58 1.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 15' ' ' GLU . . . . . 0.521 ' H ' ' C ' ' T' ' 13' ' ' THR . 55.4 mt-10 -83.78 -59.82 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.754 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 16' ' ' GLN . . . . . 0.409 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -66.58 -11.64 54.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' T' T ' 17' ' ' LYS . . . . . 0.409 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 81.9 mttt -78.63 -28.65 45.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.815 0.341 . . . . 0.0 110.266 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 18' ' ' ASN . . . . . 0.482 ' N ' HD21 ' T' ' 18' ' ' ASN . 1.2 m-80 -77.93 -15.4 59.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.422 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -75.88 -35.36 59.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 20' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' T' ' 23' ' ' ALA . 56.0 m-85 -74.87 -58.22 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.673 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -43.92 -18.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.712 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 22' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -80.52 -36.17 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.393 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 23' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -64.75 -48.43 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.588 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -44.3 -50.03 9.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 25' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' T' ' 25' ' ' ASP . 1.0 OUTLIER -48.36 -39.13 21.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.276 179.839 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 13.8 mm -68.49 -37.48 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.408 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 27' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -72.62 -64.03 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.216 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 28' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' T' ' 35' ' ' SER . 9.7 m -90.46 62.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.543 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.5 23.52 1.34 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.545 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 170.88 16.3 0.02 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.77 161.5 22.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.806 0.336 . . . . 0.0 110.548 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.76 -83.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 33' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 8.4 p30 -78.29 -102.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.527 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 34' ' ' GLY . . . . . 0.511 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . -157.0 30.25 0.54 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 35' ' ' SER . . . . . 0.467 ' O ' ' CG1' ' T' ' 28' ' ' VAL . 9.9 p -83.12 166.42 18.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.803 0.335 . . . . 0.0 110.506 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 41.3 mt -136.82 89.93 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.481 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 37' ' ' SER . . . . . 0.53 ' HG ' ' H ' ' T' ' 38' ' ' THR . 23.2 t -79.79 -173.34 3.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.474 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 38' ' ' THR . . . . . 0.53 ' H ' ' HG ' ' T' ' 37' ' ' SER . 42.8 p -72.91 -9.07 58.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.582 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 39' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -80.35 -51.47 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.674 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -79.03 -0.92 33.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.76 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.36 -62.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.429 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.16 -43.5 42.05 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -42.78 -52.92 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.629 0.252 . . . . 0.0 111.022 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 44' ' ' VAL . . . . . 0.403 ' C ' ' N ' ' T' ' 46' ' ' ARG . 93.2 t -66.25 -53.44 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.72 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 20.8 mmt -50.21 -16.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 46' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' T' ' 44' ' ' VAL . 72.2 ttt180 -57.14 -58.47 8.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 47' ' ' MET . . . . . 0.426 ' C ' ' H ' ' T' ' 49' ' ' GLY . 61.4 mtm -54.21 -29.75 47.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.583 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 48' ' ' LEU . . . . . 0.536 ' CD1' ' N ' ' T' ' 48' ' ' LEU . 7.2 mp -76.95 13.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.33 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 49' ' ' GLY . . . . . 0.426 ' H ' ' C ' ' T' ' 47' ' ' MET . . . 61.59 43.25 99.53 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -141.07 158.73 43.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.747 0.308 . . . . 0.0 110.239 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -172.04 63.39 0.34 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.698 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -77.88 172.46 15.59 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.747 2.298 . . . . 0.0 112.013 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.28 153.46 95.18 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.182 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.14 -6.54 18.55 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.257 1.971 . . . . 0.0 111.8 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -83.83 -32.2 25.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.642 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.89 -37.66 34.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.716 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 29.0 mt -65.68 -43.3 89.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.582 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 58' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.7 tp-100 -46.95 -25.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.33 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -58.99 -39.47 81.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.352 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 59.5 mmm -68.96 -37.69 78.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.363 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 61' ' ' ILE . . . . . 0.513 ' N ' ' CD1' ' T' ' 61' ' ' ILE . 1.9 mp -73.56 -32.2 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.119 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -78.54 44.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.663 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -149.02 -50.81 0.15 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.445 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 64' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' T' ' 66' ' ' GLU . 35.1 m -78.47 -38.75 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 65' ' ' ASP . . . . . 0.447 ' C ' ' H ' ' T' ' 67' ' ' ASP . 56.5 m-20 -60.09 79.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.461 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 66' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' T' ' 64' ' ' VAL . 66.4 mm-40 -73.63 45.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.303 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 67' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' T' ' 69' ' ' SER . 1.7 p30 -158.64 -22.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.88 28.32 38.44 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 69' ' ' SER . . . . . 0.511 ' N ' ' OD1' ' T' ' 67' ' ' ASP . 45.4 p -82.12 -30.49 31.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.778 0.323 . . . . 0.0 110.611 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.42 41.27 16.97 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 71' ' ' THR . . . . . 0.441 ' N ' ' OD2' ' T' ' 65' ' ' ASP . 44.6 p -153.21 126.49 8.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.791 0.329 . . . . 0.0 110.613 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 96.4 t -85.72 87.47 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 73' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' T' ' 75' ' ' ASP . 10.0 p30 -62.43 -154.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -102.19 -9.77 20.17 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.561 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 75' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' T' ' 73' ' ' ASP . 5.4 m-20 -84.5 -87.94 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 76' ' ' GLU . . . . . 0.427 ' OE2' ' OD1' ' T' ' 65' ' ' ASP . 6.2 pt-20 -44.02 -17.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 77' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' T' ' 75' ' ' ASP . 48.2 t80 -50.83 -30.55 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.352 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 78' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' T' ' 80' ' ' MET . 23.7 mt -78.38 -53.76 6.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.267 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 41.2 t -51.06 -11.34 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.389 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 80' ' ' MET . . . . . 0.505 ' H ' ' C ' ' T' ' 78' ' ' LEU . 26.3 ttt -69.52 -66.25 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.876 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 81' ' ' MET . . . . . 0.569 ' SD ' H141 ' T' ' 91' ' ' WW7 . 25.1 mtm -81.46 -40.72 22.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 93.6 t -44.21 -33.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.685 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -78.48 -49.74 12.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.528 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -63.93 -26.16 68.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.609 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 70.2 mtp -78.82 -57.41 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.601 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -52.71 -26.92 15.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -160.92 106.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -77.46 149.47 35.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.571 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' T' T ' 91' ' ' WW7 . . . . . 0.569 H141 ' SD ' ' T' ' 81' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 58.2 mtp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 58.38 67.18 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.493 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 3' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' T' ' 5' ' ' TYR . 57.6 m-20 -82.58 -72.76 0.43 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.718 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 4' ' ' ILE . . . . . 0.55 ' N ' ' CD1' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -43.52 -16.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.254 -179.635 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' T' T ' 5' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' T' ' 3' ' ' ASP . 54.7 m-85 -89.67 -49.72 6.49 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.801 0.334 . . . . 0.0 110.341 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -56.61 -40.17 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.31 -39.99 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.59 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.17 -42.07 39.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.611 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 63.1 t -56.54 -25.72 21.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -74.09 -28.33 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.633 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -72.74 -21.51 61.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -78.53 112.82 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.629 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 13' ' ' THR . . . . . 0.506 ' C ' ' H ' ' T' ' 15' ' ' GLU . 6.4 m -80.95 160.43 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -63.35 2.03 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.565 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 15' ' ' GLU . . . . . 0.506 ' H ' ' C ' ' T' ' 13' ' ' THR . 38.8 mt-10 -85.33 -51.72 6.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.58 5.66 8.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.974 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -97.42 -23.96 15.84 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.499 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 18' ' ' ASN . . . . . 0.485 ' N ' HD21 ' T' ' 18' ' ' ASN . 1.3 m120 -58.03 -26.59 62.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.779 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 19' ' ' GLU . . . . . 0.483 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.3 pm0 -80.93 -48.71 11.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.334 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -60.23 -57.39 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.447 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -48.29 -25.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.454 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.46 -42.95 24.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.426 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.6 -53.91 13.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.537 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -42.65 -57.68 2.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.616 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -44.13 -34.32 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 mm -71.73 -58.4 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.607 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 27' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -55.95 -17.01 5.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.688 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 3.9 m -150.15 73.91 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.46 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.6 24.36 5.32 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.23 5.41 0.07 OUTLIER Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.62 167.66 20.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.537 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -73.51 -71.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.401 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 33' ' ' ASP . . . . . 0.527 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 3.6 p-10 -80.41 -71.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 34' ' ' GLY . . . . . 0.527 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 157.69 23.65 0.03 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 56.8 p -82.97 127.2 33.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.351 . . . . 0.0 110.609 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 36' ' ' ILE . . . . . 0.413 HG21 HD11 ' T' ' 36' ' ' ILE . 55.6 mt -86.35 158.03 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.388 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 37' ' ' SER . . . . . 0.511 ' C ' ' H ' ' T' ' 39' ' ' LYS . 7.9 t -157.32 165.48 35.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.62 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 5.3 p -54.21 -6.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.734 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 39' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' T' ' 37' ' ' SER . 91.5 mttt -81.19 -57.76 3.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.894 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -85.66 5.68 30.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.998 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 41' ' ' LEU . . . . . 0.506 ' C ' ' H ' ' T' ' 43' ' ' LYS . 0.2 OUTLIER -76.37 -70.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.281 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.42 -12.59 0.11 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 43' ' ' LYS . . . . . 0.506 ' H ' ' C ' ' T' ' 41' ' ' LEU . 77.5 tttt -73.71 -40.86 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.74 0.305 . . . . 0.0 110.595 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 44' ' ' VAL . . . . . . . . . . . . . 98.8 t -79.26 -44.25 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.694 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 56.6 mtp -62.9 -12.24 23.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.67 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -70.06 -36.4 74.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.5 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 41.0 mtt -57.86 -34.99 70.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.612 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 48' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' T' ' 48' ' ' LEU . 7.2 mp -70.08 -79.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.359 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 170.25 41.26 0.03 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -140.95 164.07 31.25 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.799 0.333 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -172.05 60.25 0.28 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.717 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -76.65 -178.84 4.8 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.834 2.356 . . . . 0.0 111.961 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.56 153.21 78.61 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.124 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -66.84 -3.7 9.93 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.231 1.954 . . . . 0.0 111.731 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -81.24 -34.6 32.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -81.79 -39.73 23.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.704 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 66.8 mt -61.66 -40.75 96.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.479 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 58' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.5 tp-100 -47.19 -30.54 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.238 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -56.91 -32.5 65.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.516 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 56.4 mmm -78.39 -40.07 37.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.5 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 61' ' ' ILE . . . . . 0.525 ' N ' ' CD1' ' T' ' 61' ' ' ILE . 1.8 mp -77.54 -8.85 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -81.63 -59.98 2.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.771 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -45.6 -42.38 11.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.804 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 64' ' ' VAL . . . . . . . . . . . . . 30.0 m -74.13 -44.31 50.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.717 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 65' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -65.77 82.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.517 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 66' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -64.62 -35.01 79.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.4 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 67' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' T' ' 67' ' ' ASP . 16.0 p30 -81.09 -27.0 35.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.01 33.53 23.56 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 90.7 p -80.23 -20.72 43.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 110.598 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.35 40.08 11.72 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 71' ' ' THR . . . . . 0.429 ' O ' ' OE2' ' T' ' 76' ' ' GLU . 44.1 p -153.26 129.46 10.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.809 0.338 . . . . 0.0 110.401 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 58.8 t -83.6 85.08 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.51 154.08 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.292 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 74' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' T' ' 74' ' ' PHE . 45.8 t80 -60.15 -13.73 13.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 75' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -79.51 -64.41 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 76' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' T' ' 71' ' ' THR . 20.8 pt-20 -68.83 -10.43 56.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.81 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 77' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -62.64 -55.99 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.586 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 45.7 mt -51.2 -41.04 59.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.57 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.78 -32.34 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.499 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 4.3 ttt -59.36 -34.61 72.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.633 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 81' ' ' MET . . . . . 0.561 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -80.59 -59.75 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.763 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 38.8 t -43.03 -43.05 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 83' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' T' ' 87' ' ' ASP . 79.2 mtp180 -63.8 -70.95 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.481 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 5.6 m -46.89 -30.74 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.586 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 85' ' ' MET . . . . . 0.456 ' C ' ' H ' ' T' ' 87' ' ' ASP . 12.5 mmt -78.68 -83.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.606 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -50.21 -13.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.663 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' T' T ' 87' ' ' ASP . . . . . 0.456 ' H ' ' C ' ' T' ' 85' ' ' MET . 31.9 m-20 -158.49 92.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 88' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' T' ' 88' ' ' ASP . 22.3 p-10 -79.2 116.34 19.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.489 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 61.6 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.584 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' T' T ' 91' ' ' WW7 . . . . . 0.498 H132 ' C2 ' ' T' ' 91' ' ' WW7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 33.4 mtp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 49.56 47.13 23.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 3' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' T' ' 5' ' ' TYR . 11.4 m-20 -80.72 -51.68 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.644 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 4' ' ' ILE . . . . . 0.647 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.06 -15.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.185 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' T' T ' 5' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' T' ' 3' ' ' ASP . 58.8 m-85 -88.39 -45.99 9.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.776 0.322 . . . . 0.0 110.454 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -62.13 -23.98 66.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.47 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.17 80.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.14 -33.87 50.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.25 -28.37 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -72.65 -22.69 60.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -78.3 -29.62 47.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.591 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.39 123.66 22.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.6 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 13' ' ' THR . . . . . 0.414 HG22 ' H ' ' T' ' 14' ' ' GLU . 3.3 m -74.93 -128.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 14' ' ' GLU . . . . . 0.414 ' H ' HG22 ' T' ' 13' ' ' THR . 69.6 mt-10 -132.19 -19.67 2.49 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 15' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.78 -39.19 70.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.436 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 16' ' ' GLN . . . . . 0.427 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -78.98 -13.26 59.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.469 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' T' T ' 17' ' ' LYS . . . . . 0.427 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 72.3 tttt -74.33 -48.76 26.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -59.3 -17.02 25.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.6 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -73.59 -43.04 60.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.527 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 20' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' T' ' 23' ' ' ALA . 80.6 m-85 -74.93 -55.96 5.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.512 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -44.8 -36.57 3.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.706 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.08 70.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.466 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 23' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -67.39 -49.39 64.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 24' ' ' PHE . . . . . 0.444 ' O ' HG22 ' T' ' 28' ' ' VAL . 55.9 m-85 -45.65 -53.39 9.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.467 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -43.1 -45.2 5.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.646 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 11.3 mm -63.43 -52.01 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.582 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 27' ' ' PHE . . . . . 0.514 ' CE1' HG21 ' T' ' 44' ' ' VAL . 66.5 m-85 -60.8 -20.74 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.689 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 28' ' ' VAL . . . . . 0.444 HG22 ' O ' ' T' ' 24' ' ' PHE . 4.3 m -149.92 72.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.415 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 29' ' ' LEU . . . . . 0.438 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -96.24 22.57 7.55 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.583 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -169.8 3.32 0.04 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.25 158.15 29.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.765 0.316 . . . . 0.0 110.609 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -56.29 -82.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.476 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 33' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 4.6 p-10 -78.78 -69.56 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.502 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 34' ' ' GLY . . . . . 0.479 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 159.11 30.55 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 59.8 p -80.94 118.95 22.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.815 0.34 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mt -83.86 154.74 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.571 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 37' ' ' SER . . . . . 0.489 ' C ' ' H ' ' T' ' 39' ' ' LYS . 23.0 t -157.42 166.75 32.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 38' ' ' THR . . . . . 0.442 ' H ' HG23 ' T' ' 38' ' ' THR . 5.3 p -51.84 -8.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.77 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 39' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' T' ' 37' ' ' SER . 83.7 mttt -78.18 -58.74 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.82 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -84.83 0.83 49.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.88 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 41' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' T' ' 43' ' ' LYS . 0.2 OUTLIER -73.91 -65.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.287 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.32 -7.63 1.36 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 43' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' T' ' 41' ' ' LEU . 85.2 tttt -74.77 -42.33 58.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 0.0 110.572 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 44' ' ' VAL . . . . . 0.514 HG21 ' CE1' ' T' ' 27' ' ' PHE . 44.8 t -78.04 -44.11 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 16.5 mmt -59.31 -12.23 5.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.558 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -73.99 -42.57 60.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.586 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 69.7 mtm -60.05 -28.41 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.589 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 48' ' ' LEU . . . . . 0.588 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -74.47 -78.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.377 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 49' ' ' GLY . . . . . 0.574 ' O ' ' NE2' ' T' ' 50' ' ' GLN . . . 170.68 32.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 50' ' ' GLN . . . . . 0.574 ' NE2' ' O ' ' T' ' 49' ' ' GLY . 89.3 mm-40 -136.83 164.46 28.24 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 110.312 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -173.29 61.94 0.27 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.646 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -77.01 -178.6 4.7 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.702 2.268 . . . . 0.0 112.044 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.32 153.14 79.24 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.22 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -67.98 -8.78 23.65 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.287 1.991 . . . . 0.0 111.777 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -80.59 -32.56 36.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.482 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -79.96 -46.81 16.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.658 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 22.9 mt -55.92 -41.87 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.678 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -45.89 -30.96 1.91 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.481 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -61.09 -33.16 72.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.559 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 56.1 mmm -75.04 -29.62 60.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.665 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 61' ' ' ILE . . . . . 0.668 ' N ' HD12 ' T' ' 61' ' ' ILE . 2.0 mp -89.99 -19.9 7.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -78.58 -19.84 51.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.186 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 63' ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' T' ' 63' ' ' GLU . 4.0 pt-20 -80.36 -36.3 34.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.88 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 64' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' T' ' 66' ' ' GLU . 8.5 m -88.19 -32.96 6.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.888 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 65' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' T' ' 67' ' ' ASP . 15.6 m-20 -58.75 78.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.51 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 66' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' T' ' 64' ' ' VAL . 66.8 mm-40 -79.77 33.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.22 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 67' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' T' ' 65' ' ' ASP . 14.1 p-10 -155.84 8.09 0.24 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.564 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.63 81.6 0.03 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 75.7 p -144.37 -7.56 0.69 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.723 0.297 . . . . 0.0 110.638 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 60.01 54.18 39.56 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 44.3 p -153.06 170.99 19.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.768 0.318 . . . . 0.0 110.458 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 89.9 t -145.76 85.33 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 73' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' T' ' 75' ' ' ASP . 11.7 p30 -81.3 164.64 22.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.354 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -53.97 -6.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.786 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 75' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' T' ' 73' ' ' ASP . 63.3 m-20 -80.36 -93.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.87 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -47.67 -12.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 77' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' T' ' 75' ' ' ASP . 79.0 t80 -63.28 -58.67 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.548 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 46.0 mt -47.95 -43.41 29.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.398 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 46.4 t -51.46 -49.32 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 26.8 ttm -46.81 -56.62 5.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.547 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 81' ' ' MET . . . . . 0.543 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -59.07 -58.83 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.638 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 86.5 t -43.64 -41.47 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.851 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -64.89 -72.01 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.544 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 24.9 m -46.12 -33.89 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.662 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 18.8 mmt -68.26 -74.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.636 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -53.0 -20.37 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.664 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -160.42 103.79 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -78.78 148.88 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.574 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 37.3 mtp . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.95 52.69 14.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.581 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 3' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' T' ' 5' ' ' TYR . 66.6 m-20 -79.97 -55.22 5.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 4' ' ' ILE . . . . . 0.647 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.03 -15.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 -179.772 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' T' T ' 5' ' ' TYR . . . . . 0.525 ' N ' ' O ' ' T' ' 3' ' ' ASP . 57.3 m-85 -89.96 -46.49 8.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.818 0.342 . . . . 0.0 110.467 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -57.41 -40.38 78.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.531 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.83 -31.76 63.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.615 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.51 -39.62 52.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.611 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.19 -22.95 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.566 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -78.24 -25.38 46.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.674 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -75.66 -20.58 58.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.563 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -76.85 118.83 19.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 13' ' ' THR . . . . . . . . . . . . . 3.8 m -62.98 -127.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -139.44 -32.13 0.66 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.781 0.324 . . . . 0.0 110.317 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -67.45 -33.62 75.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.425 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -10.33 59.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -83.07 -12.12 57.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.601 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -67.72 -64.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.926 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 19' ' ' GLU . . . . . 0.583 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.0 pm0 -40.49 -42.97 1.74 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.046 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 20' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' T' ' 23' ' ' ALA . 45.1 m-85 -62.87 -67.34 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.443 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -46.8 -36.57 7.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.412 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.0 -29.39 68.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.39 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 23' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -61.82 -53.74 51.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.408 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 24' ' ' PHE . . . . . 0.521 ' O ' ' N ' ' T' ' 27' ' ' PHE . 60.1 m-85 -44.06 -52.9 6.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -43.78 -30.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.639 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 mm -81.19 -29.69 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.574 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 27' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' T' ' 24' ' ' PHE . 76.3 m-85 -85.12 -64.54 1.14 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.443 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 31.4 m -79.52 48.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.71 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 29' ' ' LEU . . . . . 0.422 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -79.37 31.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.613 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 173.83 -18.15 0.05 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.02 137.86 57.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 110.65 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.65 -87.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.522 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 33' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 3.0 p-10 -49.99 -72.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.495 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 34' ' ' GLY . . . . . 0.493 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 158.32 29.53 0.02 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 88.8 p -86.45 159.52 19.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.819 0.342 . . . . 0.0 110.706 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 76.6 mt -133.56 88.97 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.486 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 37' ' ' SER . . . . . . . . . . . . . 23.2 t -82.65 -159.42 0.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.481 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 20.8 p -80.14 -1.89 42.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 39' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -83.83 -53.56 5.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 40' ' ' GLU . . . . . 0.4 ' OE1' HD11 ' T' ' 29' ' ' LEU . 77.7 mm-40 -79.32 1.73 24.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.785 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.57 -66.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.282 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -45.9 -44.59 13.48 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -44.25 -44.79 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.663 0.268 . . . . 0.0 110.847 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 44' ' ' VAL . . . . . 0.509 HG21 ' CD1' ' T' ' 27' ' ' PHE . 91.2 t -77.25 -58.38 4.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.73 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 22.3 mmt -49.3 -13.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.528 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 46' ' ' ARG . . . . . 0.464 ' N ' ' C ' ' T' ' 44' ' ' VAL . 77.7 ttt180 -75.02 -33.29 61.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.614 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 26.1 mtt -63.61 -39.54 94.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.607 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 48' ' ' LEU . . . . . 0.597 ' N ' HD12 ' T' ' 48' ' ' LEU . 8.3 mp -64.41 -77.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.343 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 49' ' ' GLY . . . . . 0.427 ' O ' ' OE1' ' T' ' 50' ' ' GLN . . . 169.17 33.8 0.02 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 50' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' T' ' 49' ' ' GLY . 28.6 mm100 -138.33 150.18 46.35 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -161.6 59.76 1.09 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.14 -170.47 0.79 Allowed 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.744 2.296 . . . . 0.0 111.923 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.76 152.3 80.23 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.234 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.48 -6.31 18.65 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.211 1.94 . . . . 0.0 111.824 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -81.29 -38.38 26.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.606 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -78.62 -29.38 45.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.649 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.56 -31.09 69.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.478 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 58' ' ' GLN . . . . . 0.411 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.3 tp-100 -61.15 -26.44 67.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.473 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.7 -22.67 64.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.517 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 59.4 mmm -82.01 -28.3 32.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.694 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 61' ' ' ILE . . . . . 0.739 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.8 mp -90.63 -27.88 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.396 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.09 -21.42 64.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.308 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -79.25 -39.44 33.06 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.9 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 64' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' T' ' 66' ' ' GLU . 5.5 m -87.51 -14.83 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.758 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 65' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' T' ' 67' ' ' ASP . 48.8 m-20 -62.49 72.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.754 0.312 . . . . 0.0 110.363 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 66' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' T' ' 64' ' ' VAL . 55.5 mm-40 -77.37 22.61 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.21 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 67' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' T' ' 65' ' ' ASP . 11.0 p30 -156.29 9.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.449 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.33 84.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 86.6 p -149.98 -5.76 0.34 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.666 0.27 . . . . 0.0 110.662 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.17 51.28 47.7 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 17.7 p -151.55 121.96 7.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.735 0.303 . . . . 0.0 110.513 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 38.8 t -87.57 73.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 73' ' ' ASP . . . . . 0.451 ' C ' ' H ' ' T' ' 75' ' ' ASP . 3.5 p30 -66.79 162.3 21.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.399 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 74' ' ' PHE . . . . . 0.443 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 57.3 t80 -63.26 1.84 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 75' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' T' ' 73' ' ' ASP . 6.7 m-20 -89.61 -73.56 0.51 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.818 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -66.2 -8.48 24.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.923 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 77' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' T' ' 80' ' ' MET . 87.5 t80 -66.57 -60.3 2.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.525 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 42.4 mt -46.72 -28.74 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.451 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.92 -30.27 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.45 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 80' ' ' MET . . . . . 0.476 ' N ' ' O ' ' T' ' 77' ' ' PHE . 31.5 ttm -54.77 -35.21 63.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.564 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' T' T ' 81' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -79.81 -58.35 3.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.629 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 56.2 t -44.14 -30.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.806 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -76.1 -76.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.59 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 48.8 m -46.39 -25.4 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 10.2 mmt -78.33 -75.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -57.46 -12.94 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -158.49 94.21 1.25 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.584 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -78.96 106.57 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 22.3 p . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.521 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 27.4 mtt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 51.14 39.03 22.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' T' ' 5' ' ' TYR . 4.8 m-20 -79.68 -48.17 14.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.659 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 4' ' ' ILE . . . . . 0.646 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.09 -15.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.204 -179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' T' T ' 5' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' T' ' 3' ' ' ASP . 60.5 m-85 -87.57 -65.47 1.01 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.456 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -47.3 -21.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.502 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.26 -40.12 86.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.561 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.65 -15.79 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 62.3 t -76.22 -25.88 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -71.26 -19.4 62.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.545 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -78.05 -29.93 49.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 mt -72.17 119.41 16.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.534 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 13' ' ' THR . . . . . . . . . . . . . 17.8 m -80.71 156.35 26.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.532 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.82 61.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.434 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 15' ' ' GLU . . . . . 0.416 ' O ' ' OE2' ' T' ' 19' ' ' GLU . 34.2 mt-10 -152.1 -40.05 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.462 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.37 6.5 16.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.565 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -97.22 -37.88 9.91 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.468 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -45.26 -28.07 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.903 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 19' ' ' GLU . . . . . 0.544 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.3 pm0 -78.45 -48.73 14.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.219 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -64.08 -52.43 59.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.425 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -55.13 -27.13 43.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.79 -29.05 58.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.452 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.79 -52.18 66.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.477 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 24' ' ' PHE . . . . . 0.405 ' O ' HG22 ' T' ' 28' ' ' VAL . 75.0 m-85 -44.22 -51.03 8.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.606 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 25' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' T' ' 25' ' ' ASP . 2.2 m-20 -46.69 -37.29 8.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.47 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 12.1 mm -71.35 -34.1 52.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 27' ' ' PHE . . . . . 0.4 ' CD1' HG21 ' T' ' 44' ' ' VAL . 67.9 m-85 -77.85 -66.12 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.285 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 28' ' ' VAL . . . . . 0.405 HG22 ' O ' ' T' ' 24' ' ' PHE . 12.4 m -81.1 56.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.581 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 29' ' ' LEU . . . . . 0.412 ' HG ' ' H ' ' T' ' 29' ' ' LEU . 0.3 OUTLIER -82.42 25.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.449 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 178.1 -17.13 0.03 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.74 130.76 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.469 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -50.48 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.666 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 33' ' ' ASP . . . . . 0.484 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 10.1 p30 -79.29 -103.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.533 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 34' ' ' GLY . . . . . 0.484 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . -165.24 81.85 0.11 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 43.3 p -145.38 114.05 6.79 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.834 0.349 . . . . 0.0 110.444 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -84.19 100.93 8.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.678 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 37' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' T' ' 38' ' ' THR . 41.2 t -86.52 -168.47 2.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.495 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 38' ' ' THR . . . . . 0.473 ' N ' ' OG ' ' T' ' 37' ' ' SER . 21.8 p -80.02 -5.89 56.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.644 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 39' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -82.11 -52.01 7.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.827 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -79.97 0.56 31.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -71.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.413 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 42' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' T' ' 46' ' ' ARG . . . -49.42 -46.52 36.35 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -43.36 -42.91 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.945 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 44' ' ' VAL . . . . . 0.4 HG21 ' CD1' ' T' ' 27' ' ' PHE . 92.5 t -77.45 -46.11 28.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.696 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 58.8 mtp -72.69 1.1 9.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.644 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 46' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' T' ' 42' ' ' GLY . 66.4 ttt180 -78.83 -32.44 46.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.586 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 61.0 mtm -65.7 -35.35 80.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.646 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 48' ' ' LEU . . . . . 0.578 ' N ' HD12 ' T' ' 48' ' ' LEU . 8.4 mp -62.83 -76.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.331 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 49' ' ' GLY . . . . . 0.411 ' O ' ' OE1' ' T' ' 50' ' ' GLN . . . 165.5 52.33 0.02 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 50' ' ' GLN . . . . . 0.411 ' OE1' ' O ' ' T' ' 49' ' ' GLY . 17.7 mm100 -140.65 153.65 46.09 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 110.267 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 51' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' T' ' 51' ' ' ASN . 1.7 t30 -162.12 60.02 1.05 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.713 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -76.44 -174.91 2.3 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.835 2.357 . . . . 0.0 111.96 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 53' ' ' THR . . . . . 0.451 ' C ' ' H ' ' T' ' 55' ' ' GLU . 0.1 OUTLIER -80.71 152.13 71.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.229 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -71.95 32.69 0.26 Allowed 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.263 1.975 . . . . 0.0 111.822 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 55' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' T' ' 53' ' ' THR . 41.1 tt0 -131.3 -27.02 2.03 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.471 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -79.01 -16.7 56.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.457 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 57' ' ' LEU . . . . . 0.436 ' C ' ' N ' ' T' ' 59' ' ' GLU . 40.8 mt -75.72 -52.41 10.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 58' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -46.16 -18.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.429 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 59' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' T' ' 57' ' ' LEU . 30.2 mt-10 -70.81 -36.01 72.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 63.0 mmm -74.14 -37.55 64.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 61' ' ' ILE . . . . . 0.683 ' N ' HD12 ' T' ' 61' ' ' ILE . 2.0 mp -76.51 -19.53 14.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -69.63 -63.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.128 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -42.27 -45.86 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.262 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 64' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' T' ' 66' ' ' GLU . 31.6 m -74.28 -44.53 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.043 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 65' ' ' ASP . . . . . 0.455 ' N ' HG23 ' T' ' 64' ' ' VAL . 12.8 m-20 -58.9 79.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.631 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 66' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' T' ' 64' ' ' VAL . 62.4 mm-40 -72.42 -25.18 61.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.147 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 67' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -87.05 -7.37 58.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.533 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 57.9 81.76 0.07 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 37.6 p -142.01 -20.0 0.72 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.658 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.99 47.67 7.48 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 71' ' ' THR . . . . . 0.431 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 76.0 p -149.66 171.25 16.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.71 0.29 . . . . 0.0 110.481 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 63.0 t -144.2 82.63 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 110.518 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 73' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' T' ' 75' ' ' ASP . 15.1 p-10 -82.21 164.07 21.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.289 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -51.68 -8.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 75' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' T' ' 73' ' ' ASP . 2.0 m-20 -79.02 -90.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.88 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -51.91 -10.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.013 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 77' ' ' PHE . . . . . 0.427 ' H ' ' C ' ' T' ' 75' ' ' ASP . 74.8 t80 -64.86 -53.5 45.69 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.535 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 42.9 mt -52.02 -29.27 20.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 22.9 t -70.88 -21.23 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.509 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 26.7 ttm -72.77 -40.68 65.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.569 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 81' ' ' MET . . . . . 0.514 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -77.19 -56.36 4.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.505 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 97.0 t -44.73 -62.59 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.677 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -47.33 -60.28 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.508 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 69.6 m -51.38 -38.98 56.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.497 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 20.8 mmt -72.16 -71.22 0.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.556 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -50.59 -18.95 0.77 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.639 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -158.98 99.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.632 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' T' T ' 88' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' T' ' 88' ' ' ASP . 27.9 p30 -79.37 129.96 34.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.563 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' T' T ' 1' ' ' MET . . . . . 0.416 ' O ' ' OD1' ' T' ' 3' ' ' ASP . 52.6 mtp . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 48.91 36.99 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 3' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' T' ' 5' ' ' TYR . 8.6 m-20 -78.92 -47.52 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.678 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 4' ' ' ILE . . . . . 0.644 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.17 -15.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 -179.732 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' T' T ' 5' ' ' TYR . . . . . 0.515 ' N ' ' O ' ' T' ' 3' ' ' ASP . 60.6 m-85 -86.98 -49.37 7.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.505 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -53.35 -42.18 66.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.58 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.38 -37.39 7.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.519 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.65 -30.37 59.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 42.0 t -65.52 -13.67 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.576 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -79.29 -28.0 42.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.506 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -77.02 -23.84 52.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 12' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' T' ' 13' ' ' THR . 12.7 mt -77.6 113.6 15.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 13' ' ' THR . . . . . 0.423 ' O ' ' O ' ' T' ' 12' ' ' LEU . 3.5 m -60.55 -128.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 14' ' ' GLU . . . . . 0.41 ' H ' HG22 ' T' ' 13' ' ' THR . 44.0 mt-10 -137.3 -14.63 1.5 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.847 0.356 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 15' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -79.85 -28.7 40.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.395 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -10.26 59.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.503 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -77.73 -46.87 20.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.372 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -54.39 -31.48 54.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.582 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -59.63 -45.6 91.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 20' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' T' ' 23' ' ' ALA . 78.5 m-85 -73.54 -57.09 4.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -45.08 -30.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.735 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.91 -32.94 74.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.486 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 23' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -67.09 -48.73 67.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.609 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 24' ' ' PHE . . . . . 0.404 ' O ' HG22 ' T' ' 28' ' ' VAL . 52.5 m-85 -45.27 -51.32 11.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.45 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -47.06 -33.63 5.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.449 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 13.5 mm -74.33 -39.93 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.561 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 27' ' ' PHE . . . . . 0.472 ' CD1' HG21 ' T' ' 44' ' ' VAL . 68.6 m-85 -70.5 -63.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.276 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 28' ' ' VAL . . . . . 0.404 HG22 ' O ' ' T' ' 24' ' ' PHE . 15.8 m -86.94 57.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.631 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 29' ' ' LEU . . . . . 0.412 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -77.23 10.99 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.698 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 176.53 22.3 0.03 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.32 150.7 31.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.589 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -53.24 -83.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.521 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 33' ' ' ASP . . . . . 0.489 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 5.4 p-10 -77.11 -67.76 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.555 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 34' ' ' GLY . . . . . 0.489 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 165.31 28.16 0.02 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 64.3 p -86.28 168.88 13.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.509 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 36' ' ' ILE . . . . . 0.405 HG22 ' N ' ' T' ' 37' ' ' SER . 64.6 mt -132.21 154.61 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.318 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 37' ' ' SER . . . . . 0.498 ' O ' ' N ' ' T' ' 39' ' ' LYS . 8.6 t -159.92 169.91 22.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 38' ' ' THR . . . . . 0.427 HG23 ' H ' ' T' ' 38' ' ' THR . 4.9 p -45.89 -14.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 39' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' T' ' 37' ' ' SER . 88.2 mttt -74.49 -57.81 3.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.791 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -88.72 4.4 47.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -69.64 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.343 . . . . 0.0 110.435 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 42' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' T' ' 45' ' ' MET . . . -52.68 -44.82 60.44 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -43.31 -37.28 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.642 0.258 . . . . 0.0 111.01 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 44' ' ' VAL . . . . . 0.472 HG21 ' CD1' ' T' ' 27' ' ' PHE . 92.8 t -79.95 -32.12 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.644 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 45' ' ' MET . . . . . 0.403 ' N ' ' O ' ' T' ' 42' ' ' GLY . 1.2 mmt -74.35 -2.53 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.604 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -78.2 -47.25 18.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.552 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 54.6 mtm -47.15 -52.13 16.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.604 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 48' ' ' LEU . . . . . 0.59 ' N ' HD12 ' T' ' 48' ' ' LEU . 9.9 mp -54.79 -83.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.296 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 49' ' ' GLY . . . . . 0.543 ' O ' ' NE2' ' T' ' 50' ' ' GLN . . . 170.48 41.04 0.03 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 50' ' ' GLN . . . . . 0.543 ' NE2' ' O ' ' T' ' 49' ' ' GLY . 41.6 mm-40 -136.72 160.12 39.78 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -171.9 62.18 0.33 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -77.27 177.41 8.9 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.678 2.252 . . . . 0.0 112.039 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 53' ' ' THR . . . . . 0.419 HG22 ' H ' ' T' ' 53' ' ' THR . 0.1 OUTLIER -72.12 153.04 92.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.173 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.74 -7.71 21.3 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.311 2.007 . . . . 0.0 111.765 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -78.81 -37.61 40.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.46 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -79.7 -28.04 40.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.577 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 57' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' T' ' 59' ' ' GLU . 17.5 mt -73.21 -52.23 14.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.5 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 58' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 8.1 tp-100 -43.49 -18.73 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 59' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' T' ' 57' ' ' LEU . 76.5 mt-10 -60.86 -65.23 0.72 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.463 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 62.5 mmm -45.75 -32.91 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.612 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 61' ' ' ILE . . . . . 0.672 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.9 mp -76.87 -62.39 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -46.21 -14.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 63' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' T' ' 61' ' ' ILE . 72.3 mt-10 -81.53 -91.44 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 64' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' T' ' 66' ' ' GLU . 31.1 m -43.81 -20.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 65' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' T' ' 67' ' ' ASP . 12.4 m-20 -59.0 82.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.377 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 66' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' T' ' 64' ' ' VAL . 50.9 mm-40 -76.51 28.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.262 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 67' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' T' ' 65' ' ' ASP . 9.4 p30 -156.48 10.74 0.25 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.461 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.41 30.7 2.12 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 95.1 p -77.94 -15.91 58.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.331 . . . . 0.0 110.663 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.57 42.83 79.51 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 52.5 p -152.33 -171.47 3.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.808 0.337 . . . . 0.0 110.541 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 89.2 t -149.45 87.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.442 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 32.8 p30 -73.79 -162.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.384 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 74' ' ' PHE . . . . . 0.404 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 47.6 t80 -88.5 6.31 38.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.761 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 75' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' T' ' 77' ' ' PHE . 16.7 m-20 -95.29 -88.23 0.26 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.993 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -46.32 -13.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.069 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 77' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' T' ' 75' ' ' ASP . 70.3 t80 -65.91 -66.21 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.449 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 78' ' ' LEU . . . . . 0.402 ' O ' HG23 ' T' ' 82' ' ' VAL . 34.8 mt -46.7 -21.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.472 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 5.2 t -77.76 -34.31 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.561 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 80' ' ' MET . . . . . 0.447 ' N ' ' O ' ' T' ' 77' ' ' PHE . 27.7 ttm -62.09 -33.88 75.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.644 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 81' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -79.23 -60.31 2.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.727 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' T' T ' 82' ' ' VAL . . . . . 0.402 HG23 ' O ' ' T' ' 78' ' ' LEU . 96.2 t -44.79 -50.62 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.682 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -59.15 -66.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.497 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 59.6 m -48.37 -34.54 10.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.687 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 63.8 mtt -77.9 -72.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.609 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -47.1 -23.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.558 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -160.58 97.9 1.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.524 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 40.9 p-10 -77.94 142.84 38.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.509 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.52 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 70.3 mtp . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 48.15 61.66 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.47 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 3' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' T' ' 5' ' ' TYR . 62.1 m-20 -81.2 -61.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.753 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 4' ' ' ILE . . . . . 0.638 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -43.85 -15.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.225 -179.665 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' T' T ' 5' ' ' TYR . . . . . 0.52 ' N ' ' O ' ' T' ' 3' ' ' ASP . 56.0 m-85 -90.56 -46.85 8.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.744 0.306 . . . . 0.0 110.449 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -68.8 -23.16 64.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.35 -31.9 72.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.611 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.36 -40.17 37.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.495 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 88.5 t -51.5 -25.78 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.57 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -75.47 -26.05 57.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.624 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -77.49 -26.83 51.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 mt -72.47 119.23 16.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.63 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 13' ' ' THR . . . . . 0.478 ' C ' ' H ' ' T' ' 15' ' ' GLU . 6.2 m -77.38 160.04 29.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -65.05 4.12 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.591 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 15' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' T' ' 13' ' ' THR . 41.1 mt-10 -85.47 -52.92 5.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 16' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -74.82 -11.15 60.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.906 -179.707 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' T' T ' 17' ' ' LYS . . . . . 0.41 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 85.5 mttt -78.47 -43.12 27.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.35 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -60.42 -19.69 57.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.504 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -74.73 -40.48 61.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.557 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 20' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' T' ' 23' ' ' ALA . 62.7 m-85 -74.97 -54.48 7.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.526 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -46.51 -22.31 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.419 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 22' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' T' ' 20' ' ' PHE . . . -77.08 -34.48 56.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.335 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 23' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -61.79 -52.21 65.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.396 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -43.23 -51.28 6.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.631 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 25' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' T' ' 25' ' ' ASP . 0.8 OUTLIER -47.5 -41.12 20.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.518 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -64.45 -34.72 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 27' ' ' PHE . . . . . 0.557 ' CD1' HG21 ' T' ' 44' ' ' VAL . 70.0 m-85 -77.03 -70.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.34 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 28' ' ' VAL . . . . . 0.436 ' H ' HG22 ' T' ' 28' ' ' VAL . 15.9 m -81.93 56.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.571 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 29' ' ' LEU . . . . . 0.422 HD12 ' N ' ' T' ' 30' ' ' GLY . 0.3 OUTLIER -80.94 9.05 7.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.578 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' T' T ' 30' ' ' GLY . . . . . 0.422 ' N ' HD12 ' T' ' 29' ' ' LEU . . . -168.93 25.97 0.12 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.56 159.57 28.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.754 0.311 . . . . 0.0 110.582 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.97 -70.65 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 33' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' T' ' 33' ' ' ASP . 8.9 p30 -80.07 -74.84 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.53 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 34' ' ' GLY . . . . . 0.484 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 158.89 74.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 11.1 p -155.41 134.03 11.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.816 0.341 . . . . 0.0 110.603 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 36' ' ' ILE . . . . . 0.526 HG22 ' N ' ' T' ' 37' ' ' SER . 69.2 mt -78.63 160.57 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.661 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 37' ' ' SER . . . . . 0.526 ' N ' HG22 ' T' ' 36' ' ' ILE . 17.1 t -164.16 162.04 22.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.654 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 38' ' ' THR . . . . . 0.413 ' H ' HG23 ' T' ' 38' ' ' THR . 4.7 p -47.8 -14.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.697 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 39' ' ' LYS . . . . . 0.463 ' N ' ' C ' ' T' ' 37' ' ' SER . 94.3 mttt -78.32 -53.04 7.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -86.27 -5.47 59.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -66.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.428 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.56 -38.96 5.63 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -45.75 -68.39 0.2 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.827 0.346 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 44' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' T' ' 27' ' ' PHE . 92.8 t -50.28 -46.23 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 18.9 mmt -54.95 -16.23 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.767 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -64.95 -53.8 40.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.557 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 53.7 mtm -46.98 -35.57 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.564 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 48' ' ' LEU . . . . . 0.596 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -69.62 -80.6 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 164.97 36.78 0.02 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -141.11 154.23 45.81 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.842 0.354 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -166.0 60.42 0.63 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.641 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.95 -173.95 1.87 Allowed 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.695 2.264 . . . . 0.0 111.994 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 53' ' ' THR . . . . . 0.43 HG22 ' H ' ' T' ' 53' ' ' THR . 0.1 OUTLIER -77.6 152.96 81.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.21 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.33 -5.24 14.51 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.241 1.96 . . . . 0.0 111.748 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -80.06 -33.12 39.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.53 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -80.19 -52.13 8.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.595 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 20.8 mt -52.19 -43.89 64.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.627 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 58' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' T' ' 62' ' ' ASP . 7.2 tp-100 -43.47 -35.74 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.567 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -50.96 -49.95 59.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.297 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 48.9 mmm -58.79 -41.31 86.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.335 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 61' ' ' ILE . . . . . 0.708 ' N ' HD12 ' T' ' 61' ' ' ILE . 2.1 mp -80.86 -13.91 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.489 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 62' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' T' ' 58' ' ' GLN . 27.1 t70 -71.56 -72.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.361 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -39.33 -42.6 1.06 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.665 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 64' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' T' ' 66' ' ' GLU . 25.0 m -74.35 -45.0 47.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.239 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 65' ' ' ASP . . . . . 0.447 ' N ' HG23 ' T' ' 64' ' ' VAL . 12.7 m-20 -59.78 78.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.468 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 66' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' T' ' 64' ' ' VAL . 67.5 mm-40 -71.55 -30.43 65.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.305 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 67' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' T' ' 67' ' ' ASP . 14.5 p30 -79.91 -19.41 48.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.462 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.31 33.25 49.41 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 57.4 p -82.65 -24.19 33.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.71 0.29 . . . . 0.0 110.533 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.67 35.19 26.07 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 71' ' ' THR . . . . . 0.416 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 80.6 p -149.76 -179.53 7.19 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.835 0.35 . . . . 0.0 110.712 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 90.6 t -134.94 88.58 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 73' ' ' ASP . . . . . 0.505 ' C ' ' H ' ' T' ' 75' ' ' ASP . 37.0 p30 -83.22 164.76 19.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.506 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -55.11 -4.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 75' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' T' ' 73' ' ' ASP . 1.0 OUTLIER -82.24 -82.76 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.971 -179.786 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' T' T ' 76' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' T' ' 65' ' ' ASP . 19.4 pt-20 -63.41 2.35 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.988 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 77' ' ' PHE . . . . . 0.471 ' H ' ' C ' ' T' ' 75' ' ' ASP . 49.8 t80 -75.33 -44.47 45.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.356 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 78' ' ' LEU . . . . . 0.446 ' O ' ' CG2' ' T' ' 82' ' ' VAL . 39.6 mt -72.29 11.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.433 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 79' ' ' VAL . . . . . 0.434 ' H ' ' C ' ' T' ' 77' ' ' PHE . 64.7 t -105.99 -42.4 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 15.4 ttm -61.83 -41.95 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.883 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 81' ' ' MET . . . . . . . . . . . . . 9.8 mtt -78.89 -62.08 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.981 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 82' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' T' ' 78' ' ' LEU . 85.3 t -41.47 -38.84 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.965 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -75.88 -58.94 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.512 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 61.4 m -52.12 -27.35 13.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 11.7 mmt -72.3 -74.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.551 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -45.88 -25.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -159.23 112.71 2.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.508 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -78.32 112.81 15.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.581 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 56.4 mtp . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 47.29 37.72 6.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 3' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' T' ' 5' ' ' TYR . 29.3 m-20 -79.67 -47.46 15.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.682 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 4' ' ' ILE . . . . . 0.637 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.15 -15.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 -179.723 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' T' T ' 5' ' ' TYR . . . . . 0.522 ' N ' ' O ' ' T' ' 3' ' ' ASP . 64.5 m-85 -88.66 -49.94 6.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.838 0.352 . . . . 0.0 110.499 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -46.58 -29.5 1.85 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.548 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.17 96.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.657 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.97 -14.2 58.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.717 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 90.0 t -77.56 -44.38 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.66 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -60.7 -18.73 56.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.617 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -78.47 -22.99 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 mt -79.82 121.76 25.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 13' ' ' THR . . . . . 0.479 ' C ' ' H ' ' T' ' 15' ' ' GLU . 28.7 m -75.97 158.67 31.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.428 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 14' ' ' GLU . . . . . 0.457 ' N ' HG22 ' T' ' 13' ' ' THR . 31.3 mt-10 -66.31 5.86 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.64 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 15' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' T' ' 13' ' ' THR . 35.7 mt-10 -88.03 -54.67 4.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.929 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 16' ' ' GLN . . . . . 0.487 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -71.15 -11.25 60.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.086 -179.521 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' T' T ' 17' ' ' LYS . . . . . 0.487 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 79.9 mttt -74.16 -36.81 64.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.441 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.28 -18.94 63.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -71.36 -37.27 71.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.655 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 20' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' T' ' 23' ' ' ALA . 72.4 m-85 -76.95 -58.39 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.662 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -43.98 -21.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.655 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 22' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' T' ' 20' ' ' PHE . . . -75.52 -36.44 60.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.366 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 23' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -67.68 -41.09 84.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.397 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -50.24 -56.92 9.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.22 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -41.95 -32.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 11.0 mm -74.89 -53.93 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.67 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 27' ' ' PHE . . . . . 0.512 ' CD1' HG21 ' T' ' 44' ' ' VAL . 71.8 m-85 -56.46 -13.94 2.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 6.9 m -149.6 56.66 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.443 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 pp -82.08 18.52 1.34 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.62 -28.15 0.02 OUTLIER Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.62 140.62 34.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 0.0 110.627 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -48.07 -91.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 33' ' ' ASP . . . . . 0.477 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 10.5 p30 -55.54 -102.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.53 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 34' ' ' GLY . . . . . 0.477 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . -176.5 23.04 0.05 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 62.5 p -80.47 125.7 30.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.491 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 40.9 mt -88.62 152.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.686 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 37' ' ' SER . . . . . 0.476 ' C ' ' H ' ' T' ' 39' ' ' LYS . 10.5 t -156.98 165.25 36.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.505 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 34.7 p -50.24 -10.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.798 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 39' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' T' ' 37' ' ' SER . 89.8 mttt -77.6 -56.47 4.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.667 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -86.52 -3.2 58.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.772 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.32 -64.3 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.392 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.83 -39.31 4.82 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 43' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' T' ' 46' ' ' ARG . 91.1 mttt -46.74 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 0.0 110.709 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 44' ' ' VAL . . . . . 0.512 HG21 ' CD1' ' T' ' 27' ' ' PHE . 86.4 t -43.91 -40.78 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 19.5 mmt -67.57 -27.59 67.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.563 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 46' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' T' ' 43' ' ' LYS . 70.1 ttt180 -48.84 -35.62 15.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.489 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 68.6 mtm -67.69 -40.87 84.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 48' ' ' LEU . . . . . 0.586 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -70.11 -2.4 12.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.12 46.39 9.3 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -142.17 150.04 40.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.875 0.369 . . . . 0.0 110.259 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -171.11 58.98 0.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.06 -174.7 2.04 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.772 2.315 . . . . 0.0 111.863 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.61 153.28 95.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.053 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.28 -4.97 15.45 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.292 1.994 . . . . 0.0 111.767 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -81.5 -30.76 33.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -79.2 -34.5 42.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.702 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 42.3 mt -70.82 -48.59 53.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.669 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 58' ' ' GLN . . . . . 0.423 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.4 tp-100 -45.25 -34.02 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.574 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -56.64 -33.67 66.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.427 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 49.0 mmm -76.55 -36.93 57.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.561 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 61' ' ' ILE . . . . . 0.666 ' N ' HD12 ' T' ' 61' ' ' ILE . 2.1 mp -81.96 -12.41 12.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.222 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.66 -50.63 11.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.975 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -52.09 -41.91 62.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.874 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 64' ' ' VAL . . . . . 0.53 HG23 ' N ' ' T' ' 65' ' ' ASP . 31.6 m -77.2 -45.68 29.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.773 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 65' ' ' ASP . . . . . 0.53 ' N ' HG23 ' T' ' 64' ' ' VAL . 27.0 m-20 -59.29 80.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.446 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 66' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' T' ' 64' ' ' VAL . 10.5 mm-40 -63.4 -33.14 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.351 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 67' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' T' ' 67' ' ' ASP . 23.0 p-10 -82.34 -23.47 35.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.483 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.9 33.3 42.03 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 19.0 p -79.87 -24.61 41.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 110.631 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.15 38.28 13.48 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 54.6 p -152.49 126.1 8.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.785 0.326 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 97.3 t -83.7 88.66 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 73' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' T' ' 75' ' ' ASP . 5.6 p30 -71.45 174.33 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.234 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 74' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 60.2 t80 -77.72 5.1 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.663 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 75' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' T' ' 73' ' ' ASP . 6.0 m-20 -95.74 -72.16 0.64 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.819 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -62.4 -3.81 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.972 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 77' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -70.72 -57.68 4.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.358 . . . . 0.0 110.351 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 78' ' ' LEU . . . . . 0.411 ' O ' HG23 ' T' ' 82' ' ' VAL . 31.1 mt -52.51 -20.08 2.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.374 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 56.8 t -79.84 -23.51 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.516 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 26.8 ttm -72.5 -39.56 67.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.634 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 81' ' ' MET . . . . . 0.548 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -76.32 -59.6 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.657 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' T' T ' 82' ' ' VAL . . . . . 0.411 HG23 ' O ' ' T' ' 78' ' ' LEU . 99.2 t -44.66 -45.16 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.759 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -70.63 -60.52 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.552 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 42.3 m -46.29 -41.37 13.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.592 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 64.8 mtt -67.06 -74.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.643 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -61.45 -70.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -73.01 63.73 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -66.36 130.49 43.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 20.8 p . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.61 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 50.8 mtp . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 52.75 43.36 31.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 3' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' T' ' 5' ' ' TYR . 24.3 m-20 -79.71 -50.95 9.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 4' ' ' ILE . . . . . 0.631 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.0 -15.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.187 -179.735 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' T' T ' 5' ' ' TYR . . . . . 0.526 ' N ' ' O ' ' T' ' 3' ' ' ASP . 58.8 m-85 -89.26 -58.3 2.58 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.828 0.347 . . . . 0.0 110.431 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -52.62 -36.62 56.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.495 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.94 -35.47 45.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.545 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.45 -34.21 67.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.28 -20.92 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.499 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -75.93 -21.9 56.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.508 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -74.94 -24.26 58.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.498 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.16 122.67 23.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.54 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 13' ' ' THR . . . . . . . . . . . . . 9.9 m -78.82 157.62 28.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -71.12 60.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.543 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 15' ' ' GLU . . . . . 0.424 ' O ' ' OE2' ' T' ' 19' ' ' GLU . 57.1 mt-10 -151.77 -45.78 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.05 9.4 5.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.564 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -97.78 -39.34 9.08 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.524 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -44.96 -25.91 0.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 19' ' ' GLU . . . . . 0.589 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.3 pm0 -80.88 -51.5 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.437 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -59.88 -34.02 72.61 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.381 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -77.47 -28.86 52.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.466 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.24 -6.8 57.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.425 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.06 -56.07 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.51 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 24' ' ' PHE . . . . . 0.404 ' O ' HG22 ' T' ' 28' ' ' VAL . 79.7 m-85 -45.6 -49.47 14.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.545 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.59 -42.92 7.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.778 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 mm -59.79 -64.42 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.627 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 27' ' ' PHE . . . . . 0.511 ' CE1' HG21 ' T' ' 44' ' ' VAL . 97.6 m-85 -45.58 -68.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.593 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 28' ' ' VAL . . . . . 0.404 HG22 ' O ' ' T' ' 24' ' ' PHE . 13.7 m -83.56 49.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.608 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 29' ' ' LEU . . . . . 0.616 ' C ' HD12 ' T' ' 29' ' ' LEU . 2.0 pp -69.55 -0.96 7.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.022 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 30' ' ' GLY . . . . . 0.601 ' N ' HD12 ' T' ' 29' ' ' LEU . . . -174.43 25.0 0.07 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.76 154.03 34.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.44 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -46.9 -87.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 33' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' T' ' 34' ' ' GLY . 8.5 p30 -81.34 -102.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.56 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 34' ' ' GLY . . . . . 0.508 ' N ' ' OD1' ' T' ' 33' ' ' ASP . . . -164.08 78.22 0.14 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 90.5 p -154.11 126.09 7.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.841 0.353 . . . . 0.0 110.496 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 36' ' ' ILE . . . . . 0.458 HG22 ' N ' ' T' ' 37' ' ' SER . 62.7 mt -78.47 157.37 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.523 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 37' ' ' SER . . . . . 0.458 ' N ' HG22 ' T' ' 36' ' ' ILE . 11.7 t -160.06 162.43 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 38' ' ' THR . . . . . 0.416 ' H ' HG23 ' T' ' 38' ' ' THR . 30.8 p -46.64 -16.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.612 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 39' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' T' ' 37' ' ' SER . 93.2 mttt -76.12 -55.02 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.619 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -84.15 -7.19 59.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.626 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -70.2 0.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.24 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.23 -37.2 10.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -47.18 -43.34 21.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 110.655 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 44' ' ' VAL . . . . . 0.511 HG21 ' CE1' ' T' ' 27' ' ' PHE . 98.9 t -76.31 -53.73 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 56.4 mtp -57.74 -9.26 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.612 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -64.84 -45.83 84.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.616 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 48.9 mtt -51.57 -34.24 35.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.447 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 48' ' ' LEU . . . . . 0.584 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -78.99 10.4 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.358 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.55 -5.33 30.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -81.76 133.92 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.561 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -161.16 59.58 1.12 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.6 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.44 -170.3 0.79 Allowed 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.785 2.323 . . . . 0.0 111.865 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 53' ' ' THR . . . . . 0.42 ' CG2' ' OE2' ' T' ' 56' ' ' GLU . 0.1 OUTLIER -72.81 152.55 91.21 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.084 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.74 -6.35 18.37 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.221 1.947 . . . . 0.0 111.696 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -81.5 -29.98 33.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.487 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 56' ' ' GLU . . . . . 0.42 ' OE2' ' CG2' ' T' ' 53' ' ' THR . 43.5 mt-10 -77.89 -40.45 39.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.65 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.29 -48.89 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.565 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 58' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' T' ' 62' ' ' ASP . 7.6 tp-100 -45.5 -30.65 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.628 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.63 -34.67 71.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.481 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 59.4 mmm -75.03 -39.37 61.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.58 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 61' ' ' ILE . . . . . 0.717 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.9 mp -79.59 -24.66 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.431 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 62' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' T' ' 58' ' ' GLN . 14.3 t70 -62.05 -61.9 2.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.86 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -47.36 -70.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 64' ' ' VAL . . . . . 0.522 HG23 ' N ' ' T' ' 65' ' ' ASP . 31.7 m -43.98 -43.87 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 65' ' ' ASP . . . . . 0.522 ' N ' HG23 ' T' ' 64' ' ' VAL . 26.7 m-20 -62.39 73.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.489 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 66' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' T' ' 64' ' ' VAL . 67.6 mm-40 -80.59 37.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.454 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 67' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -158.39 17.78 0.22 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.612 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.42 90.21 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 54.7 p -150.0 -29.88 0.22 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.799 0.333 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 70' ' ' GLY . . . . . 0.401 ' CA ' ' OD2' ' T' ' 65' ' ' ASP . . . 79.32 3.76 88.71 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 71' ' ' THR . . . . . 0.422 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 31.0 p -107.37 172.63 6.72 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.872 0.368 . . . . 0.0 110.476 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 96.0 t -139.68 88.31 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.347 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 50.9 p30 -72.44 -168.42 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.336 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 74' ' ' PHE . . . . . 0.512 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 45.8 t80 -84.23 11.85 7.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.668 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 75' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -98.78 -94.53 0.24 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 76' ' ' GLU . . . . . 0.413 ' OE2' ' OD1' ' T' ' 65' ' ' ASP . 20.2 pt-20 -42.34 -25.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.166 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 77' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -50.38 -40.06 48.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.342 . . . . 0.0 110.508 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 78' ' ' LEU . . . . . 0.45 ' O ' HG23 ' T' ' 82' ' ' VAL . 34.1 mt -78.69 -20.96 48.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.311 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 79' ' ' VAL . . . . . 0.442 ' O ' HG12 ' T' ' 79' ' ' VAL . 45.4 t -78.77 -9.45 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.647 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 37.9 ttp -77.04 -54.58 6.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.998 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 81' ' ' MET . . . . . 0.418 ' O ' ' N ' ' T' ' 84' ' ' SER . 27.7 mtm -79.71 -53.01 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 82' ' ' VAL . . . . . 0.45 HG23 ' O ' ' T' ' 78' ' ' LEU . 82.1 t -41.55 -34.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.897 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -78.36 -39.17 40.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 84' ' ' SER . . . . . 0.418 ' N ' ' O ' ' T' ' 81' ' ' MET . 65.7 m -77.32 -20.2 55.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.549 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 39.3 mtt -80.04 -70.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.576 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -47.47 -27.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.609 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -159.33 106.31 1.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.559 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -78.39 157.75 28.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.577 179.893 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 70.0 mtp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 47.04 60.74 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' T' ' 5' ' ' TYR . 34.8 m-20 -80.37 -61.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.688 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 4' ' ' ILE . . . . . 0.65 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.01 -15.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.212 -179.766 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' T' T ' 5' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' T' ' 3' ' ' ASP . 57.4 m-85 -91.54 -56.91 2.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.835 0.35 . . . . 0.0 110.522 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -51.79 -19.45 1.68 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.51 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.96 -39.08 69.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.535 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.65 -40.24 63.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 61.3 t -51.8 -29.66 11.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.487 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -73.99 -23.87 59.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.564 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -78.24 -22.84 47.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 mt -78.32 110.53 13.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 13' ' ' THR . . . . . 0.482 ' C ' ' H ' ' T' ' 15' ' ' GLU . 5.6 m -71.46 159.51 34.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.437 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -67.51 7.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.716 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 15' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' T' ' 13' ' ' THR . 47.5 mt-10 -86.99 -48.91 7.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 16' ' ' GLN . . . . . 0.521 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -79.55 -14.68 58.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 -179.62 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' T' T ' 17' ' ' LYS . . . . . 0.521 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 79.8 mttt -67.61 -39.58 84.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.918 0.39 . . . . 0.0 110.297 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -55.49 -28.24 53.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -66.31 -47.58 73.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 20' ' ' PHE . . . . . 0.511 ' O ' ' N ' ' T' ' 22' ' ' ALA . 56.8 m-85 -70.18 -59.5 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.538 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -41.26 -21.17 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.796 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 22' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -79.4 -40.31 30.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.396 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 23' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -54.37 -43.1 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.431 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 24' ' ' PHE . . . . . 0.5 ' CZ ' ' CD2' ' T' ' 77' ' ' PHE . 48.8 m-85 -45.5 -57.83 3.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.382 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -47.22 -51.58 18.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.685 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 11.2 mm -51.6 -48.25 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.591 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 27' ' ' PHE . . . . . 0.544 ' CE1' HG21 ' T' ' 44' ' ' VAL . 54.9 m-85 -67.21 -69.38 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.192 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 28' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' T' ' 35' ' ' SER . 9.4 m -88.26 63.84 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.466 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 29' ' ' LEU . . . . . 0.401 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -82.02 29.08 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.024 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 163.21 25.65 0.02 OUTLIER Glycine 0 CA--C 1.525 0.662 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.361 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.71 177.8 7.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.818 0.342 . . . . 0.0 110.523 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -79.36 -78.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 33' ' ' ASP . . . . . 0.489 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 12.9 p-10 -80.14 -69.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 34' ' ' GLY . . . . . 0.489 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 163.38 29.72 0.02 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 35' ' ' SER . . . . . 0.463 ' O ' ' CG1' ' T' ' 28' ' ' VAL . 94.0 p -85.75 165.63 16.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.805 0.336 . . . . 0.0 110.543 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 36' ' ' ILE . . . . . 0.503 HG22 ' N ' ' T' ' 37' ' ' SER . 67.7 mt -131.47 160.12 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 37' ' ' SER . . . . . 0.503 ' N ' HG22 ' T' ' 36' ' ' ILE . 24.6 t -159.57 176.64 11.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.62 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 38' ' ' THR . . . . . 0.42 ' N ' ' OG ' ' T' ' 37' ' ' SER . 6.8 p -59.93 -0.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 39' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' T' ' 37' ' ' SER . 91.1 mttt -83.9 -60.56 2.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.888 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -83.22 6.44 19.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.066 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.86 -71.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.397 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.98 -44.69 7.41 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -43.68 -40.23 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.701 0.286 . . . . 0.0 111.002 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 44' ' ' VAL . . . . . 0.544 HG21 ' CE1' ' T' ' 27' ' ' PHE . 87.5 t -79.95 -59.52 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.723 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 59.2 mtp -55.63 -5.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.645 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 46' ' ' ARG . . . . . 0.482 ' H ' ' C ' ' T' ' 44' ' ' VAL . 70.1 ttt180 -80.07 -52.29 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.612 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 60.2 mtm -45.02 -28.62 0.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.653 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 48' ' ' LEU . . . . . 0.578 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -70.71 -60.12 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.238 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 158.49 -12.81 0.23 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -83.67 165.87 18.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 0.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 51' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' T' ' 51' ' ' ASN . 0.7 OUTLIER -167.85 58.76 0.42 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.585 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.04 172.0 17.23 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.752 2.301 . . . . 0.0 111.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.69 153.34 80.91 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.127 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.42 -9.83 21.71 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 122.302 2.001 . . . . 0.0 111.657 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -83.09 -33.58 26.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.557 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -81.62 -30.02 33.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 57' ' ' LEU . . . . . 0.419 ' C ' ' N ' ' T' ' 59' ' ' GLU . 17.2 mt -68.71 -46.23 69.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 58' ' ' GLN . . . . . 0.423 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.9 tp-100 -46.63 -20.66 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.334 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 59' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' T' ' 57' ' ' LEU . 72.2 mt-10 -66.27 -37.36 85.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.486 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 55.2 mmm -70.51 -35.54 73.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 61' ' ' ILE . . . . . 0.735 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.9 mp -77.84 -13.6 14.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.362 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 62' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' T' ' 64' ' ' VAL . 10.5 t70 -81.29 -42.04 21.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.845 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.7 29.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.855 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 64' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' T' ' 66' ' ' GLU . 10.9 m -154.01 -34.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.457 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 65' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' T' ' 71' ' ' THR . 16.1 m-20 -61.88 73.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.417 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 66' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' T' ' 64' ' ' VAL . 34.4 mm-40 -66.83 -31.33 71.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.386 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -84.49 2.93 38.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.532 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 45.73 83.71 0.02 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.761 -0.935 . . . . 0.0 110.761 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 20.8 p -142.72 -12.47 0.77 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.73 0.3 . . . . 0.0 110.682 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.68 44.29 49.2 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 71' ' ' THR . . . . . 0.401 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 59.0 p -151.87 -168.44 3.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 0.0 110.443 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 25.1 t -147.47 73.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.543 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 41.0 p30 -60.16 -162.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.326 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 74' ' ' PHE . . . . . 0.525 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 45.7 t80 -86.6 -4.27 59.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.652 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 75' ' ' ASP . . . . . 0.481 ' C ' ' N ' ' T' ' 77' ' ' PHE . 4.7 m-20 -81.22 -88.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -46.51 -14.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.738 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 77' ' ' PHE . . . . . 0.5 ' CD2' ' CZ ' ' T' ' 24' ' ' PHE . 29.3 t80 -46.74 -53.87 10.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.493 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.64 -49.09 57.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.501 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -46.59 -21.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.682 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 50.4 ttm -70.84 -62.76 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.579 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 81' ' ' MET . . . . . 0.415 ' SD ' ' N ' ' T' ' 81' ' ' MET . 1.8 mpt? -70.59 -47.56 59.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.618 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 90.4 t -44.38 -49.32 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.762 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -68.23 -62.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 69.1 m -46.85 -31.61 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.591 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 7.3 mmt -77.93 -69.23 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.624 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -50.73 -22.88 2.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.623 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -158.13 100.71 1.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.547 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' T' T ' 88' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' T' ' 88' ' ' ASP . 1.5 p30 -78.37 125.42 29.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.542 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.577 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 41.2 mtp . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 52.31 48.65 22.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.519 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 3' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' T' ' 5' ' ' TYR . 13.5 m-20 -80.01 -53.29 6.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 4' ' ' ILE . . . . . 0.649 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.0 -15.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.762 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' T' T ' 5' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' T' ' 3' ' ' ASP . 58.1 m-85 -89.65 -39.56 13.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.864 0.364 . . . . 0.0 110.466 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 6' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' T' ' 3' ' ' ASP . 10.1 mmmt -60.64 -49.42 77.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.374 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.67 -32.05 7.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.552 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.5 67.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 18.8 t -72.37 -31.71 39.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.51 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -61.71 -24.27 66.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.582 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -77.42 -32.23 54.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 17.0 mt -72.55 125.37 27.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 13' ' ' THR . . . . . 0.479 ' C ' ' H ' ' T' ' 15' ' ' GLU . 8.8 m -78.97 157.85 28.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -63.58 1.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 15' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' T' ' 13' ' ' THR . 55.4 mt-10 -83.78 -59.82 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.754 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 16' ' ' GLN . . . . . 0.409 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -66.58 -11.64 54.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' T' T ' 17' ' ' LYS . . . . . 0.409 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 81.9 mttt -78.63 -28.65 45.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.815 0.341 . . . . 0.0 110.266 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -77.93 -15.4 59.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.422 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -75.88 -35.36 59.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 20' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' T' ' 23' ' ' ALA . 56.0 m-85 -74.87 -58.22 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.673 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -43.92 -18.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.712 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 22' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -80.52 -36.17 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.393 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 23' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -64.75 -48.43 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.588 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -44.3 -50.03 9.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 25' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' T' ' 25' ' ' ASP . 1.0 OUTLIER -48.36 -39.13 21.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.276 179.839 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 13.8 mm -68.49 -37.48 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.408 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 27' ' ' PHE . . . . . 0.527 ' CD1' HG21 ' T' ' 44' ' ' VAL . 62.1 m-85 -72.62 -64.03 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.216 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 28' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' T' ' 35' ' ' SER . 9.7 m -90.46 62.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.543 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 29' ' ' LEU . . . . . 0.424 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -85.5 23.52 1.34 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.545 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' T' T ' 30' ' ' GLY . . . . . 0.414 ' H ' ' H ' ' T' ' 31' ' ' ALA . . . 170.88 16.3 0.02 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 31' ' ' ALA . . . . . 0.414 ' H ' ' H ' ' T' ' 30' ' ' GLY . . . -82.77 161.5 22.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.806 0.336 . . . . 0.0 110.548 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.76 -83.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 33' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' T' ' 34' ' ' GLY . 8.4 p30 -78.29 -102.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.527 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 34' ' ' GLY . . . . . 0.498 ' N ' ' OD1' ' T' ' 33' ' ' ASP . . . -157.0 30.25 0.54 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 35' ' ' SER . . . . . 0.467 ' O ' ' CG1' ' T' ' 28' ' ' VAL . 9.9 p -83.12 166.42 18.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.803 0.335 . . . . 0.0 110.506 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 41.3 mt -136.82 89.93 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.481 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 37' ' ' SER . . . . . . . . . . . . . 23.2 t -79.79 -173.34 3.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.474 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 42.8 p -72.91 -9.07 58.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.582 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 39' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -80.35 -51.47 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.674 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -79.03 -0.92 33.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.76 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 41' ' ' LEU . . . . . 0.4 ' O ' HD13 ' T' ' 41' ' ' LEU . 0.2 OUTLIER -79.36 -62.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.429 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.16 -43.5 42.05 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -42.78 -52.92 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.629 0.252 . . . . 0.0 111.022 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 44' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' T' ' 27' ' ' PHE . 93.2 t -66.25 -53.44 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.72 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 20.8 mmt -50.21 -16.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 46' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' T' ' 44' ' ' VAL . 72.2 ttt180 -57.14 -58.47 8.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 61.4 mtm -54.21 -29.75 47.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.583 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 48' ' ' LEU . . . . . 0.602 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -76.95 13.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.33 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.59 43.25 99.53 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -141.07 158.73 43.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.747 0.308 . . . . 0.0 110.239 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -172.04 63.39 0.34 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.698 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -77.88 172.46 15.59 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.747 2.298 . . . . 0.0 112.013 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.28 153.46 95.18 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.182 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.14 -6.54 18.55 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.257 1.971 . . . . 0.0 111.8 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -83.83 -32.2 25.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.642 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.89 -37.66 34.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.716 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 29.0 mt -65.68 -43.3 89.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.582 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 58' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.7 tp-100 -46.95 -25.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.33 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -58.99 -39.47 81.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.352 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 59.5 mmm -68.96 -37.69 78.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.363 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 61' ' ' ILE . . . . . 0.718 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.9 mp -73.56 -32.2 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.119 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -78.54 44.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.663 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -149.02 -50.81 0.15 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.445 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 64' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' T' ' 66' ' ' GLU . 35.1 m -78.47 -38.75 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 65' ' ' ASP . . . . . 0.441 ' N ' HG23 ' T' ' 64' ' ' VAL . 56.5 m-20 -60.09 79.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.461 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 66' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' T' ' 64' ' ' VAL . 66.4 mm-40 -73.63 45.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.303 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 67' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' T' ' 69' ' ' SER . 1.7 p30 -158.64 -22.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.88 28.32 38.44 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 69' ' ' SER . . . . . 0.511 ' N ' ' OD1' ' T' ' 67' ' ' ASP . 45.4 p -82.12 -30.49 31.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.778 0.323 . . . . 0.0 110.611 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.42 41.27 16.97 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 71' ' ' THR . . . . . 0.441 ' N ' ' OD2' ' T' ' 65' ' ' ASP . 44.6 p -153.21 126.49 8.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.791 0.329 . . . . 0.0 110.613 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 96.4 t -85.72 87.47 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 73' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' T' ' 75' ' ' ASP . 10.0 p30 -62.43 -154.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -102.19 -9.77 20.17 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.561 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 75' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' T' ' 73' ' ' ASP . 5.4 m-20 -84.5 -87.94 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 76' ' ' GLU . . . . . 0.427 ' OE2' ' OD1' ' T' ' 65' ' ' ASP . 6.2 pt-20 -44.02 -17.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 77' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' T' ' 75' ' ' ASP . 48.2 t80 -50.83 -30.55 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.352 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 78' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' T' ' 80' ' ' MET . 23.7 mt -78.38 -53.76 6.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.267 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 79' ' ' VAL . . . . . 0.416 ' O ' HG12 ' T' ' 79' ' ' VAL . 41.2 t -51.06 -11.34 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.389 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 80' ' ' MET . . . . . 0.468 ' H ' ' C ' ' T' ' 78' ' ' LEU . 26.3 ttt -69.52 -66.25 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.876 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' T' T ' 81' ' ' MET . . . . . . . . . . . . . 25.1 mtm -81.46 -40.72 22.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 93.6 t -44.21 -33.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.685 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -78.48 -49.74 12.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.528 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -63.93 -26.16 68.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.609 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 70.2 mtp -78.82 -57.41 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.601 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -52.71 -26.92 15.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -160.92 106.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -77.46 149.47 35.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.571 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 58.2 mtp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 58.38 67.18 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.493 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 3' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' T' ' 5' ' ' TYR . 57.6 m-20 -82.58 -72.76 0.43 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.718 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 4' ' ' ILE . . . . . 0.654 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -43.52 -16.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.254 -179.635 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' T' T ' 5' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' T' ' 3' ' ' ASP . 54.7 m-85 -89.67 -49.72 6.49 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.801 0.334 . . . . 0.0 110.341 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -56.61 -40.17 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.31 -39.99 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.59 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.17 -42.07 39.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.611 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 63.1 t -56.54 -25.72 21.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -74.09 -28.33 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.633 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -72.74 -21.51 61.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -78.53 112.82 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.629 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 13' ' ' THR . . . . . 0.486 ' C ' ' H ' ' T' ' 15' ' ' GLU . 6.4 m -80.95 160.43 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -63.35 2.03 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.565 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 15' ' ' GLU . . . . . 0.486 ' H ' ' C ' ' T' ' 13' ' ' THR . 38.8 mt-10 -85.33 -51.72 6.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.58 5.66 8.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.974 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -97.42 -23.96 15.84 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.499 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -58.03 -26.59 62.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.779 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 19' ' ' GLU . . . . . 0.488 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.3 pm0 -80.93 -48.71 11.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.334 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -60.23 -57.39 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.447 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -48.29 -25.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.454 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.46 -42.95 24.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.426 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.6 -53.91 13.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.537 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 24' ' ' PHE . . . . . 0.407 ' O ' HG22 ' T' ' 28' ' ' VAL . 71.6 m-85 -42.65 -57.68 2.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.616 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -44.13 -34.32 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 mm -71.73 -58.4 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.607 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 27' ' ' PHE . . . . . 0.497 ' CD1' HG21 ' T' ' 44' ' ' VAL . 82.2 m-85 -55.95 -17.01 5.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.688 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 28' ' ' VAL . . . . . 0.407 HG22 ' O ' ' T' ' 24' ' ' PHE . 3.9 m -150.15 73.91 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.46 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 29' ' ' LEU . . . . . 0.437 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -95.6 24.36 5.32 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.23 5.41 0.07 OUTLIER Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.62 167.66 20.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.537 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -73.51 -71.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.401 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 33' ' ' ASP . . . . . 0.494 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 3.6 p-10 -80.41 -71.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 34' ' ' GLY . . . . . 0.494 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 157.69 23.65 0.03 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 56.8 p -82.97 127.2 33.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.351 . . . . 0.0 110.609 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 36' ' ' ILE . . . . . 0.443 HG22 ' N ' ' T' ' 37' ' ' SER . 55.6 mt -86.35 158.03 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.388 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 37' ' ' SER . . . . . 0.474 ' C ' ' H ' ' T' ' 39' ' ' LYS . 7.9 t -157.32 165.48 35.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.62 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 38' ' ' THR . . . . . 0.429 ' H ' HG23 ' T' ' 38' ' ' THR . 5.3 p -54.21 -6.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.734 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 39' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' T' ' 37' ' ' SER . 91.5 mttt -81.19 -57.76 3.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.894 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -85.66 5.68 30.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.998 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 41' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' T' ' 43' ' ' LYS . 0.2 OUTLIER -76.37 -70.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.281 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.42 -12.59 0.11 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 43' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' T' ' 41' ' ' LEU . 77.5 tttt -73.71 -40.86 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.74 0.305 . . . . 0.0 110.595 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 44' ' ' VAL . . . . . 0.497 HG21 ' CD1' ' T' ' 27' ' ' PHE . 98.8 t -79.26 -44.25 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.694 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 56.6 mtp -62.9 -12.24 23.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.67 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -70.06 -36.4 74.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.5 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 41.0 mtt -57.86 -34.99 70.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.612 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 48' ' ' LEU . . . . . 0.595 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -70.08 -79.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.359 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 170.25 41.26 0.03 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -140.95 164.07 31.25 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.799 0.333 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -172.05 60.25 0.28 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.717 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -76.65 -178.84 4.8 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.834 2.356 . . . . 0.0 111.961 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 53' ' ' THR . . . . . 0.428 ' H ' HG22 ' T' ' 53' ' ' THR . 0.1 OUTLIER -78.56 153.21 78.61 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.124 179.848 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -66.84 -3.7 9.93 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.231 1.954 . . . . 0.0 111.731 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -81.24 -34.6 32.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -81.79 -39.73 23.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.704 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 66.8 mt -61.66 -40.75 96.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.479 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 58' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.5 tp-100 -47.19 -30.54 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.238 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -56.91 -32.5 65.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.516 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 56.4 mmm -78.39 -40.07 37.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.5 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 61' ' ' ILE . . . . . 0.716 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.8 mp -77.54 -8.85 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -81.63 -59.98 2.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.771 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -45.6 -42.38 11.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.804 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 64' ' ' VAL . . . . . 0.475 HG23 ' N ' ' T' ' 65' ' ' ASP . 30.0 m -74.13 -44.31 50.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.717 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 65' ' ' ASP . . . . . 0.475 ' N ' HG23 ' T' ' 64' ' ' VAL . 32.9 m-20 -65.77 82.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.517 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 66' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -64.62 -35.01 79.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.4 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 67' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' T' ' 67' ' ' ASP . 16.0 p30 -81.09 -27.0 35.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.01 33.53 23.56 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 90.7 p -80.23 -20.72 43.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 110.598 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.35 40.08 11.72 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 71' ' ' THR . . . . . 0.429 ' O ' ' OE2' ' T' ' 76' ' ' GLU . 44.1 p -153.26 129.46 10.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.809 0.338 . . . . 0.0 110.401 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 58.8 t -83.6 85.08 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.51 154.08 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.292 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 74' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' T' ' 74' ' ' PHE . 45.8 t80 -60.15 -13.73 13.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 75' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -79.51 -64.41 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 76' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' T' ' 71' ' ' THR . 20.8 pt-20 -68.83 -10.43 56.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.81 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 77' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -62.64 -55.99 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.586 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 45.7 mt -51.2 -41.04 59.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.57 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.78 -32.34 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.499 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 4.3 ttt -59.36 -34.61 72.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.633 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 81' ' ' MET . . . . . 0.561 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -80.59 -59.75 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.763 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 38.8 t -43.03 -43.05 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 83' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' T' ' 87' ' ' ASP . 79.2 mtp180 -63.8 -70.95 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.481 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 5.6 m -46.89 -30.74 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.586 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 85' ' ' MET . . . . . 0.436 ' C ' ' N ' ' T' ' 87' ' ' ASP . 12.5 mmt -78.68 -83.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.606 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -50.21 -13.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.663 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' T' T ' 87' ' ' ASP . . . . . 0.436 ' N ' ' C ' ' T' ' 85' ' ' MET . 31.9 m-20 -158.49 92.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 88' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' T' ' 88' ' ' ASP . 22.3 p-10 -79.2 116.34 19.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.489 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 61.6 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.584 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 33.4 mtp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 49.56 47.13 23.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 3' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' T' ' 5' ' ' TYR . 11.4 m-20 -80.72 -51.68 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.644 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 4' ' ' ILE . . . . . 0.647 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.06 -15.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.185 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' T' T ' 5' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' T' ' 3' ' ' ASP . 58.8 m-85 -88.39 -45.99 9.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.776 0.322 . . . . 0.0 110.454 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -62.13 -23.98 66.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.47 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.17 80.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.14 -33.87 50.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.25 -28.37 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -72.65 -22.69 60.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -78.3 -29.62 47.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.591 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.39 123.66 22.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.6 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 13' ' ' THR . . . . . 0.414 HG22 ' H ' ' T' ' 14' ' ' GLU . 3.3 m -74.93 -128.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 14' ' ' GLU . . . . . 0.414 ' H ' HG22 ' T' ' 13' ' ' THR . 69.6 mt-10 -132.19 -19.67 2.49 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 15' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.78 -39.19 70.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.436 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 16' ' ' GLN . . . . . 0.427 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -78.98 -13.26 59.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.469 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' T' T ' 17' ' ' LYS . . . . . 0.427 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 72.3 tttt -74.33 -48.76 26.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -59.3 -17.02 25.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.6 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -73.59 -43.04 60.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.527 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 20' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' T' ' 23' ' ' ALA . 80.6 m-85 -74.93 -55.96 5.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.512 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -44.8 -36.57 3.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.706 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.08 70.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.466 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 23' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -67.39 -49.39 64.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 24' ' ' PHE . . . . . 0.444 ' O ' HG22 ' T' ' 28' ' ' VAL . 55.9 m-85 -45.65 -53.39 9.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.467 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -43.1 -45.2 5.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.646 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 11.3 mm -63.43 -52.01 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.582 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 27' ' ' PHE . . . . . 0.514 ' CE1' HG21 ' T' ' 44' ' ' VAL . 66.5 m-85 -60.8 -20.74 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.689 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 28' ' ' VAL . . . . . 0.444 HG22 ' O ' ' T' ' 24' ' ' PHE . 4.3 m -149.92 72.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.415 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 29' ' ' LEU . . . . . 0.438 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -96.24 22.57 7.55 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.583 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -169.8 3.32 0.04 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.25 158.15 29.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.765 0.316 . . . . 0.0 110.609 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -56.29 -82.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.476 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 33' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 4.6 p-10 -78.78 -69.56 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.502 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 34' ' ' GLY . . . . . 0.479 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 159.11 30.55 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 59.8 p -80.94 118.95 22.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.815 0.34 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 36' ' ' ILE . . . . . 0.407 ' CD1' ' H6 ' ' T' ' 91' ' ' WW7 . 41.4 mt -83.86 154.74 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.571 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 37' ' ' SER . . . . . 0.489 ' C ' ' H ' ' T' ' 39' ' ' LYS . 23.0 t -157.42 166.75 32.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 38' ' ' THR . . . . . 0.442 ' H ' HG23 ' T' ' 38' ' ' THR . 5.3 p -51.84 -8.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.77 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 39' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' T' ' 37' ' ' SER . 83.7 mttt -78.18 -58.74 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.82 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -84.83 0.83 49.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.88 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 41' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' T' ' 43' ' ' LYS . 0.2 OUTLIER -73.91 -65.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.287 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.32 -7.63 1.36 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 43' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' T' ' 41' ' ' LEU . 85.2 tttt -74.77 -42.33 58.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 0.0 110.572 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 44' ' ' VAL . . . . . 0.514 HG21 ' CE1' ' T' ' 27' ' ' PHE . 44.8 t -78.04 -44.11 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 16.5 mmt -59.31 -12.23 5.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.558 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -73.99 -42.57 60.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.586 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 69.7 mtm -60.05 -28.41 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.589 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 48' ' ' LEU . . . . . 0.588 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -74.47 -78.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.377 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 49' ' ' GLY . . . . . 0.574 ' O ' ' NE2' ' T' ' 50' ' ' GLN . . . 170.68 32.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 50' ' ' GLN . . . . . 0.574 ' NE2' ' O ' ' T' ' 49' ' ' GLY . 89.3 mm-40 -136.83 164.46 28.24 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 110.312 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -173.29 61.94 0.27 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.646 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -77.01 -178.6 4.7 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.702 2.268 . . . . 0.0 112.044 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.32 153.14 79.24 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.22 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -67.98 -8.78 23.65 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.287 1.991 . . . . 0.0 111.777 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -80.59 -32.56 36.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.482 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -79.96 -46.81 16.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.658 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 22.9 mt -55.92 -41.87 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.678 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -45.89 -30.96 1.91 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.481 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -61.09 -33.16 72.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.559 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 56.1 mmm -75.04 -29.62 60.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.665 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 61' ' ' ILE . . . . . 0.668 ' N ' HD12 ' T' ' 61' ' ' ILE . 2.0 mp -89.99 -19.9 7.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -78.58 -19.84 51.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.186 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 63' ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' T' ' 63' ' ' GLU . 4.0 pt-20 -80.36 -36.3 34.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.88 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 64' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' T' ' 66' ' ' GLU . 8.5 m -88.19 -32.96 6.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.888 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 65' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' T' ' 67' ' ' ASP . 15.6 m-20 -58.75 78.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.51 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 66' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' T' ' 64' ' ' VAL . 66.8 mm-40 -79.77 33.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.22 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 67' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' T' ' 65' ' ' ASP . 14.1 p-10 -155.84 8.09 0.24 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.564 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.63 81.6 0.03 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 75.7 p -144.37 -7.56 0.69 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.723 0.297 . . . . 0.0 110.638 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 60.01 54.18 39.56 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 44.3 p -153.06 170.99 19.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.768 0.318 . . . . 0.0 110.458 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 89.9 t -145.76 85.33 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 73' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' T' ' 75' ' ' ASP . 11.7 p30 -81.3 164.64 22.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.354 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -53.97 -6.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.786 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 75' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' T' ' 73' ' ' ASP . 63.3 m-20 -80.36 -93.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.87 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -47.67 -12.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 77' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' T' ' 75' ' ' ASP . 79.0 t80 -63.28 -58.67 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.548 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 46.0 mt -47.95 -43.41 29.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.398 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 46.4 t -51.46 -49.32 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 26.8 ttm -46.81 -56.62 5.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.547 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 81' ' ' MET . . . . . 0.576 ' HE2' H121 ' T' ' 91' ' ' WW7 . 0.0 OUTLIER -59.07 -58.83 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.638 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 86.5 t -43.64 -41.47 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.851 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -64.89 -72.01 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.544 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 24.9 m -46.12 -33.89 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.662 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 18.8 mmt -68.26 -74.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.636 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -53.0 -20.37 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.664 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -160.42 103.79 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -78.78 148.88 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.574 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' T' T ' 91' ' ' WW7 . . . . . 0.576 H121 ' HE2' ' T' ' 81' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 37.3 mtp . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.95 52.69 14.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.581 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 3' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' T' ' 5' ' ' TYR . 66.6 m-20 -79.97 -55.22 5.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 4' ' ' ILE . . . . . 0.647 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.03 -15.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 -179.772 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' T' T ' 5' ' ' TYR . . . . . 0.525 ' N ' ' O ' ' T' ' 3' ' ' ASP . 57.3 m-85 -89.96 -46.49 8.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.818 0.342 . . . . 0.0 110.467 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -57.41 -40.38 78.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.531 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.83 -31.76 63.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.615 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.51 -39.62 52.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.611 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.19 -22.95 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.566 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -78.24 -25.38 46.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.674 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -75.66 -20.58 58.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.563 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -76.85 118.83 19.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 13' ' ' THR . . . . . . . . . . . . . 3.8 m -62.98 -127.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -139.44 -32.13 0.66 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.781 0.324 . . . . 0.0 110.317 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -67.45 -33.62 75.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.425 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -10.33 59.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -83.07 -12.12 57.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.601 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -67.72 -64.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.926 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 19' ' ' GLU . . . . . 0.583 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.0 pm0 -40.49 -42.97 1.74 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.046 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 20' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' T' ' 23' ' ' ALA . 45.1 m-85 -62.87 -67.34 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.443 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -46.8 -36.57 7.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.412 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.0 -29.39 68.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.39 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 23' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -61.82 -53.74 51.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.408 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 24' ' ' PHE . . . . . 0.521 ' O ' ' N ' ' T' ' 27' ' ' PHE . 60.1 m-85 -44.06 -52.9 6.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -43.78 -30.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.639 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 mm -81.19 -29.69 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.574 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 27' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' T' ' 24' ' ' PHE . 76.3 m-85 -85.12 -64.54 1.14 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.443 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 31.4 m -79.52 48.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.71 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 29' ' ' LEU . . . . . 0.422 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -79.37 31.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.613 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 173.83 -18.15 0.05 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.02 137.86 57.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 110.65 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.65 -87.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.522 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 33' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 3.0 p-10 -49.99 -72.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.495 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 34' ' ' GLY . . . . . 0.493 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 158.32 29.53 0.02 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 88.8 p -86.45 159.52 19.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.819 0.342 . . . . 0.0 110.706 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 36' ' ' ILE . . . . . 0.429 ' CD1' ' H6 ' ' T' ' 91' ' ' WW7 . 76.6 mt -133.56 88.97 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 37' ' ' SER . . . . . . . . . . . . . 23.2 t -82.65 -159.42 0.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.481 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 20.8 p -80.14 -1.89 42.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 39' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -83.83 -53.56 5.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 40' ' ' GLU . . . . . 0.4 ' OE1' HD11 ' T' ' 29' ' ' LEU . 77.7 mm-40 -79.32 1.73 24.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.785 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.57 -66.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.282 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -45.9 -44.59 13.48 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -44.25 -44.79 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.663 0.268 . . . . 0.0 110.847 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 44' ' ' VAL . . . . . 0.509 HG21 ' CD1' ' T' ' 27' ' ' PHE . 91.2 t -77.25 -58.38 4.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.73 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 22.3 mmt -49.3 -13.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.528 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 46' ' ' ARG . . . . . 0.464 ' N ' ' C ' ' T' ' 44' ' ' VAL . 77.7 ttt180 -75.02 -33.29 61.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.614 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 26.1 mtt -63.61 -39.54 94.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.607 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 48' ' ' LEU . . . . . 0.597 ' N ' HD12 ' T' ' 48' ' ' LEU . 8.3 mp -64.41 -77.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.343 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 49' ' ' GLY . . . . . 0.427 ' O ' ' OE1' ' T' ' 50' ' ' GLN . . . 169.17 33.8 0.02 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 50' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' T' ' 49' ' ' GLY . 28.6 mm100 -138.33 150.18 46.35 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -161.6 59.76 1.09 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.14 -170.47 0.79 Allowed 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.744 2.296 . . . . 0.0 111.923 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.76 152.3 80.23 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.234 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.48 -6.31 18.65 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.211 1.94 . . . . 0.0 111.824 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -81.29 -38.38 26.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.606 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -78.62 -29.38 45.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.649 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.56 -31.09 69.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.478 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 58' ' ' GLN . . . . . 0.411 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.3 tp-100 -61.15 -26.44 67.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.473 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.7 -22.67 64.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.517 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 59.4 mmm -82.01 -28.3 32.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.694 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 61' ' ' ILE . . . . . 0.739 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.8 mp -90.63 -27.88 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.396 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.09 -21.42 64.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.308 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -79.25 -39.44 33.06 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.9 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 64' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' T' ' 66' ' ' GLU . 5.5 m -87.51 -14.83 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.758 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 65' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' T' ' 67' ' ' ASP . 48.8 m-20 -62.49 72.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.754 0.312 . . . . 0.0 110.363 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 66' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' T' ' 64' ' ' VAL . 55.5 mm-40 -77.37 22.61 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.21 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 67' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' T' ' 65' ' ' ASP . 11.0 p30 -156.29 9.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.449 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.33 84.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 86.6 p -149.98 -5.76 0.34 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.666 0.27 . . . . 0.0 110.662 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.17 51.28 47.7 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 17.7 p -151.55 121.96 7.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.735 0.303 . . . . 0.0 110.513 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 38.8 t -87.57 73.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 73' ' ' ASP . . . . . 0.451 ' C ' ' H ' ' T' ' 75' ' ' ASP . 3.5 p30 -66.79 162.3 21.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.399 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 74' ' ' PHE . . . . . 0.443 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 57.3 t80 -63.26 1.84 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 75' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' T' ' 73' ' ' ASP . 6.7 m-20 -89.61 -73.56 0.51 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.818 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -66.2 -8.48 24.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.923 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 77' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' T' ' 80' ' ' MET . 87.5 t80 -66.57 -60.3 2.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.525 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 42.4 mt -46.72 -28.74 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.451 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.92 -30.27 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.45 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 80' ' ' MET . . . . . 0.635 ' SD ' H161 ' T' ' 91' ' ' WW7 . 31.5 ttm -54.77 -35.21 63.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.564 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' T' T ' 81' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -79.81 -58.35 3.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.629 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 56.2 t -44.14 -30.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.806 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -76.1 -76.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.59 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 48.8 m -46.39 -25.4 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 10.2 mmt -78.33 -75.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -57.46 -12.94 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -158.49 94.21 1.25 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.584 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -78.96 106.57 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 22.3 p . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.521 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' T' T ' 91' ' ' WW7 . . . . . 0.635 H161 ' SD ' ' T' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 27.4 mtt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 51.14 39.03 22.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' T' ' 5' ' ' TYR . 4.8 m-20 -79.68 -48.17 14.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.659 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 4' ' ' ILE . . . . . 0.646 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.09 -15.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.204 -179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' T' T ' 5' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' T' ' 3' ' ' ASP . 60.5 m-85 -87.57 -65.47 1.01 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.456 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -47.3 -21.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.502 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.26 -40.12 86.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.561 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.65 -15.79 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 62.3 t -76.22 -25.88 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -71.26 -19.4 62.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.545 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -78.05 -29.93 49.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 mt -72.17 119.41 16.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.534 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 13' ' ' THR . . . . . . . . . . . . . 17.8 m -80.71 156.35 26.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.532 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.82 61.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.434 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 15' ' ' GLU . . . . . 0.416 ' O ' ' OE2' ' T' ' 19' ' ' GLU . 34.2 mt-10 -152.1 -40.05 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.462 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.37 6.5 16.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.565 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -97.22 -37.88 9.91 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.468 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -45.26 -28.07 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.903 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 19' ' ' GLU . . . . . 0.544 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.3 pm0 -78.45 -48.73 14.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.219 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -64.08 -52.43 59.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.425 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -55.13 -27.13 43.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.79 -29.05 58.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.452 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.79 -52.18 66.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.477 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 24' ' ' PHE . . . . . 0.405 ' O ' HG22 ' T' ' 28' ' ' VAL . 75.0 m-85 -44.22 -51.03 8.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.606 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 25' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' T' ' 25' ' ' ASP . 2.2 m-20 -46.69 -37.29 8.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.47 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 12.1 mm -71.35 -34.1 52.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 27' ' ' PHE . . . . . 0.4 ' CD1' HG21 ' T' ' 44' ' ' VAL . 67.9 m-85 -77.85 -66.12 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.285 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 28' ' ' VAL . . . . . 0.405 HG22 ' O ' ' T' ' 24' ' ' PHE . 12.4 m -81.1 56.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.581 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 29' ' ' LEU . . . . . 0.412 ' HG ' ' H ' ' T' ' 29' ' ' LEU . 0.3 OUTLIER -82.42 25.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.449 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 178.1 -17.13 0.03 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.74 130.76 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.469 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -50.48 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.666 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 33' ' ' ASP . . . . . 0.484 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 10.1 p30 -79.29 -103.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.533 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 34' ' ' GLY . . . . . 0.484 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . -165.24 81.85 0.11 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 43.3 p -145.38 114.05 6.79 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.834 0.349 . . . . 0.0 110.444 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -84.19 100.93 8.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.678 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 37' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' T' ' 38' ' ' THR . 41.2 t -86.52 -168.47 2.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.495 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 38' ' ' THR . . . . . 0.473 ' N ' ' OG ' ' T' ' 37' ' ' SER . 21.8 p -80.02 -5.89 56.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.644 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 39' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -82.11 -52.01 7.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.827 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -79.97 0.56 31.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -71.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.413 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 42' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' T' ' 46' ' ' ARG . . . -49.42 -46.52 36.35 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -43.36 -42.91 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.945 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 44' ' ' VAL . . . . . 0.4 HG21 ' CD1' ' T' ' 27' ' ' PHE . 92.5 t -77.45 -46.11 28.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.696 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 58.8 mtp -72.69 1.1 9.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.644 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 46' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' T' ' 42' ' ' GLY . 66.4 ttt180 -78.83 -32.44 46.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.586 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 61.0 mtm -65.7 -35.35 80.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.646 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 48' ' ' LEU . . . . . 0.578 ' N ' HD12 ' T' ' 48' ' ' LEU . 8.4 mp -62.83 -76.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.331 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 49' ' ' GLY . . . . . 0.411 ' O ' ' OE1' ' T' ' 50' ' ' GLN . . . 165.5 52.33 0.02 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 50' ' ' GLN . . . . . 0.411 ' OE1' ' O ' ' T' ' 49' ' ' GLY . 17.7 mm100 -140.65 153.65 46.09 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 110.267 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 51' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' T' ' 51' ' ' ASN . 1.7 t30 -162.12 60.02 1.05 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.713 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -76.44 -174.91 2.3 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.835 2.357 . . . . 0.0 111.96 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 53' ' ' THR . . . . . 0.451 ' C ' ' H ' ' T' ' 55' ' ' GLU . 0.1 OUTLIER -80.71 152.13 71.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.229 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -71.95 32.69 0.26 Allowed 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.263 1.975 . . . . 0.0 111.822 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 55' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' T' ' 53' ' ' THR . 41.1 tt0 -131.3 -27.02 2.03 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.471 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -79.01 -16.7 56.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.457 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 57' ' ' LEU . . . . . 0.436 ' C ' ' N ' ' T' ' 59' ' ' GLU . 40.8 mt -75.72 -52.41 10.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 58' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -46.16 -18.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.429 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 59' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' T' ' 57' ' ' LEU . 30.2 mt-10 -70.81 -36.01 72.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 60' ' ' MET . . . . . 0.5 ' CE ' H161 ' T' ' 91' ' ' WW7 . 63.0 mmm -74.14 -37.55 64.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.554 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 61' ' ' ILE . . . . . 0.683 ' N ' HD12 ' T' ' 61' ' ' ILE . 2.0 mp -76.51 -19.53 14.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -69.63 -63.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.128 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -42.27 -45.86 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.262 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 64' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' T' ' 66' ' ' GLU . 31.6 m -74.28 -44.53 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.043 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 65' ' ' ASP . . . . . 0.455 ' N ' HG23 ' T' ' 64' ' ' VAL . 12.8 m-20 -58.9 79.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.631 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 66' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' T' ' 64' ' ' VAL . 62.4 mm-40 -72.42 -25.18 61.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.147 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 67' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -87.05 -7.37 58.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.533 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 57.9 81.76 0.07 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 37.6 p -142.01 -20.0 0.72 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.658 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.99 47.67 7.48 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 71' ' ' THR . . . . . 0.431 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 76.0 p -149.66 171.25 16.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.71 0.29 . . . . 0.0 110.481 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 63.0 t -144.2 82.63 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 110.518 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 73' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' T' ' 75' ' ' ASP . 15.1 p-10 -82.21 164.07 21.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.289 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -51.68 -8.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 75' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' T' ' 73' ' ' ASP . 2.0 m-20 -79.02 -90.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.88 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -51.91 -10.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.013 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 77' ' ' PHE . . . . . 0.427 ' H ' ' C ' ' T' ' 75' ' ' ASP . 74.8 t80 -64.86 -53.5 45.69 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.535 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 42.9 mt -52.02 -29.27 20.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 22.9 t -70.88 -21.23 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.509 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 80' ' ' MET . . . . . 0.8 ' SD ' H162 ' T' ' 91' ' ' WW7 . 26.7 ttm -72.77 -40.68 65.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.569 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 81' ' ' MET . . . . . 0.514 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -77.19 -56.36 4.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.505 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 97.0 t -44.73 -62.59 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.677 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -47.33 -60.28 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.508 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 69.6 m -51.38 -38.98 56.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.497 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 20.8 mmt -72.16 -71.22 0.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.556 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -50.59 -18.95 0.77 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.639 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -158.98 99.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.632 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' T' T ' 88' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' T' ' 88' ' ' ASP . 27.9 p30 -79.37 129.96 34.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.563 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' T' T ' 91' ' ' WW7 . . . . . 0.8 H162 ' SD ' ' T' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 1' ' ' MET . . . . . 0.416 ' O ' ' OD1' ' T' ' 3' ' ' ASP . 52.6 mtp . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 48.91 36.99 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 3' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' T' ' 5' ' ' TYR . 8.6 m-20 -78.92 -47.52 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.678 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 4' ' ' ILE . . . . . 0.644 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.17 -15.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 -179.732 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' T' T ' 5' ' ' TYR . . . . . 0.515 ' N ' ' O ' ' T' ' 3' ' ' ASP . 60.6 m-85 -86.98 -49.37 7.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.505 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -53.35 -42.18 66.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.58 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.38 -37.39 7.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.519 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.65 -30.37 59.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 42.0 t -65.52 -13.67 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.576 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -79.29 -28.0 42.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.506 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -77.02 -23.84 52.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 12' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' T' ' 13' ' ' THR . 12.7 mt -77.6 113.6 15.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 13' ' ' THR . . . . . 0.423 ' O ' ' O ' ' T' ' 12' ' ' LEU . 3.5 m -60.55 -128.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 14' ' ' GLU . . . . . 0.41 ' H ' HG22 ' T' ' 13' ' ' THR . 44.0 mt-10 -137.3 -14.63 1.5 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.847 0.356 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 15' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -79.85 -28.7 40.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.395 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -10.26 59.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.503 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -77.73 -46.87 20.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.372 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -54.39 -31.48 54.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.582 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -59.63 -45.6 91.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 20' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' T' ' 23' ' ' ALA . 78.5 m-85 -73.54 -57.09 4.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -45.08 -30.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.735 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.91 -32.94 74.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.486 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 23' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -67.09 -48.73 67.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.609 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 24' ' ' PHE . . . . . 0.404 ' O ' HG22 ' T' ' 28' ' ' VAL . 52.5 m-85 -45.27 -51.32 11.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.45 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -47.06 -33.63 5.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.449 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 13.5 mm -74.33 -39.93 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.561 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 27' ' ' PHE . . . . . 0.472 ' CD1' HG21 ' T' ' 44' ' ' VAL . 68.6 m-85 -70.5 -63.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.276 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 28' ' ' VAL . . . . . 0.404 HG22 ' O ' ' T' ' 24' ' ' PHE . 15.8 m -86.94 57.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.631 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 29' ' ' LEU . . . . . 0.412 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -77.23 10.99 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.698 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 176.53 22.3 0.03 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.32 150.7 31.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.589 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -53.24 -83.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.521 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 33' ' ' ASP . . . . . 0.489 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 5.4 p-10 -77.11 -67.76 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.555 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 34' ' ' GLY . . . . . 0.489 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 165.31 28.16 0.02 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 64.3 p -86.28 168.88 13.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.509 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 36' ' ' ILE . . . . . 0.451 ' CD1' ' H6 ' ' T' ' 91' ' ' WW7 . 64.6 mt -132.21 154.61 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.318 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 37' ' ' SER . . . . . 0.498 ' O ' ' N ' ' T' ' 39' ' ' LYS . 8.6 t -159.92 169.91 22.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 38' ' ' THR . . . . . 0.427 HG23 ' H ' ' T' ' 38' ' ' THR . 4.9 p -45.89 -14.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 39' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' T' ' 37' ' ' SER . 88.2 mttt -74.49 -57.81 3.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.791 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -88.72 4.4 47.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -69.64 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.343 . . . . 0.0 110.435 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 42' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' T' ' 45' ' ' MET . . . -52.68 -44.82 60.44 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -43.31 -37.28 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.642 0.258 . . . . 0.0 111.01 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 44' ' ' VAL . . . . . 0.472 HG21 ' CD1' ' T' ' 27' ' ' PHE . 92.8 t -79.95 -32.12 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.644 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 45' ' ' MET . . . . . 0.403 ' N ' ' O ' ' T' ' 42' ' ' GLY . 1.2 mmt -74.35 -2.53 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.604 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -78.2 -47.25 18.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.552 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 54.6 mtm -47.15 -52.13 16.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.604 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 48' ' ' LEU . . . . . 0.59 ' N ' HD12 ' T' ' 48' ' ' LEU . 9.9 mp -54.79 -83.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.296 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 49' ' ' GLY . . . . . 0.543 ' O ' ' NE2' ' T' ' 50' ' ' GLN . . . 170.48 41.04 0.03 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 50' ' ' GLN . . . . . 0.543 ' NE2' ' O ' ' T' ' 49' ' ' GLY . 41.6 mm-40 -136.72 160.12 39.78 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -171.9 62.18 0.33 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -77.27 177.41 8.9 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.678 2.252 . . . . 0.0 112.039 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 53' ' ' THR . . . . . 0.419 HG22 ' H ' ' T' ' 53' ' ' THR . 0.1 OUTLIER -72.12 153.04 92.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.173 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.74 -7.71 21.3 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.311 2.007 . . . . 0.0 111.765 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -78.81 -37.61 40.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.46 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -79.7 -28.04 40.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.577 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 57' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' T' ' 59' ' ' GLU . 17.5 mt -73.21 -52.23 14.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.5 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 58' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 8.1 tp-100 -43.49 -18.73 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 59' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' T' ' 57' ' ' LEU . 76.5 mt-10 -60.86 -65.23 0.72 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.463 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 62.5 mmm -45.75 -32.91 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.612 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 61' ' ' ILE . . . . . 0.672 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.9 mp -76.87 -62.39 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -46.21 -14.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 63' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' T' ' 61' ' ' ILE . 72.3 mt-10 -81.53 -91.44 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 64' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' T' ' 66' ' ' GLU . 31.1 m -43.81 -20.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 65' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' T' ' 67' ' ' ASP . 12.4 m-20 -59.0 82.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.377 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 66' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' T' ' 64' ' ' VAL . 50.9 mm-40 -76.51 28.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.262 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 67' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' T' ' 65' ' ' ASP . 9.4 p30 -156.48 10.74 0.25 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.461 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.41 30.7 2.12 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 95.1 p -77.94 -15.91 58.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.331 . . . . 0.0 110.663 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.57 42.83 79.51 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 52.5 p -152.33 -171.47 3.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.808 0.337 . . . . 0.0 110.541 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 89.2 t -149.45 87.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.442 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 32.8 p30 -73.79 -162.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.384 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 74' ' ' PHE . . . . . 0.404 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 47.6 t80 -88.5 6.31 38.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.761 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 75' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' T' ' 77' ' ' PHE . 16.7 m-20 -95.29 -88.23 0.26 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.993 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -46.32 -13.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.069 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 77' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' T' ' 75' ' ' ASP . 70.3 t80 -65.91 -66.21 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.449 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 78' ' ' LEU . . . . . 0.402 ' O ' HG23 ' T' ' 82' ' ' VAL . 34.8 mt -46.7 -21.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.472 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 5.2 t -77.76 -34.31 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.561 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 80' ' ' MET . . . . . 0.765 ' SD ' H151 ' T' ' 91' ' ' WW7 . 27.7 ttm -62.09 -33.88 75.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.644 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 81' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -79.23 -60.31 2.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.727 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' T' T ' 82' ' ' VAL . . . . . 0.402 HG23 ' O ' ' T' ' 78' ' ' LEU . 96.2 t -44.79 -50.62 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.682 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -59.15 -66.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.497 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 59.6 m -48.37 -34.54 10.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.687 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 63.8 mtt -77.9 -72.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.609 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -47.1 -23.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.558 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -160.58 97.9 1.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.524 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 40.9 p-10 -77.94 142.84 38.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.509 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.52 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' T' T ' 91' ' ' WW7 . . . . . 0.765 H151 ' SD ' ' T' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 70.3 mtp . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 48.15 61.66 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.47 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 3' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' T' ' 5' ' ' TYR . 62.1 m-20 -81.2 -61.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.753 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 4' ' ' ILE . . . . . 0.638 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -43.85 -15.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.225 -179.665 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' T' T ' 5' ' ' TYR . . . . . 0.52 ' N ' ' O ' ' T' ' 3' ' ' ASP . 56.0 m-85 -90.56 -46.85 8.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.744 0.306 . . . . 0.0 110.449 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -68.8 -23.16 64.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.35 -31.9 72.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.611 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.36 -40.17 37.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.495 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 88.5 t -51.5 -25.78 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.57 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -75.47 -26.05 57.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.624 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -77.49 -26.83 51.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 mt -72.47 119.23 16.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.63 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 13' ' ' THR . . . . . 0.478 ' C ' ' H ' ' T' ' 15' ' ' GLU . 6.2 m -77.38 160.04 29.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -65.05 4.12 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.591 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 15' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' T' ' 13' ' ' THR . 41.1 mt-10 -85.47 -52.92 5.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 16' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -74.82 -11.15 60.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.906 -179.707 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' T' T ' 17' ' ' LYS . . . . . 0.41 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 85.5 mttt -78.47 -43.12 27.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.35 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -60.42 -19.69 57.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.504 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -74.73 -40.48 61.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.557 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 20' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' T' ' 23' ' ' ALA . 62.7 m-85 -74.97 -54.48 7.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.526 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -46.51 -22.31 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.419 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 22' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' T' ' 20' ' ' PHE . . . -77.08 -34.48 56.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.335 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 23' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -61.79 -52.21 65.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.396 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -43.23 -51.28 6.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.631 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 25' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' T' ' 25' ' ' ASP . 0.8 OUTLIER -47.5 -41.12 20.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.518 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -64.45 -34.72 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 27' ' ' PHE . . . . . 0.557 ' CD1' HG21 ' T' ' 44' ' ' VAL . 70.0 m-85 -77.03 -70.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.34 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 28' ' ' VAL . . . . . 0.436 ' H ' HG22 ' T' ' 28' ' ' VAL . 15.9 m -81.93 56.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.571 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 29' ' ' LEU . . . . . 0.422 HD12 ' N ' ' T' ' 30' ' ' GLY . 0.3 OUTLIER -80.94 9.05 7.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.578 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' T' T ' 30' ' ' GLY . . . . . 0.422 ' N ' HD12 ' T' ' 29' ' ' LEU . . . -168.93 25.97 0.12 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.56 159.57 28.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.754 0.311 . . . . 0.0 110.582 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.97 -70.65 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 33' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' T' ' 33' ' ' ASP . 8.9 p30 -80.07 -74.84 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.53 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 34' ' ' GLY . . . . . 0.484 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 158.89 74.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 11.1 p -155.41 134.03 11.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.816 0.341 . . . . 0.0 110.603 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 36' ' ' ILE . . . . . 0.526 HG22 ' N ' ' T' ' 37' ' ' SER . 69.2 mt -78.63 160.57 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.661 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 37' ' ' SER . . . . . 0.526 ' N ' HG22 ' T' ' 36' ' ' ILE . 17.1 t -164.16 162.04 22.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.654 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 38' ' ' THR . . . . . 0.413 ' H ' HG23 ' T' ' 38' ' ' THR . 4.7 p -47.8 -14.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.697 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 39' ' ' LYS . . . . . 0.463 ' N ' ' C ' ' T' ' 37' ' ' SER . 94.3 mttt -78.32 -53.04 7.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -86.27 -5.47 59.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -66.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.428 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.56 -38.96 5.63 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -45.75 -68.39 0.2 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.827 0.346 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 44' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' T' ' 27' ' ' PHE . 92.8 t -50.28 -46.23 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 45' ' ' MET . . . . . 0.451 ' CE ' ' H3 ' ' T' ' 91' ' ' WW7 . 18.9 mmt -54.95 -16.23 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.767 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -64.95 -53.8 40.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.557 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 53.7 mtm -46.98 -35.57 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.564 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 48' ' ' LEU . . . . . 0.596 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -69.62 -80.6 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 164.97 36.78 0.02 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -141.11 154.23 45.81 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.842 0.354 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -166.0 60.42 0.63 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.641 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.95 -173.95 1.87 Allowed 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.695 2.264 . . . . 0.0 111.994 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 53' ' ' THR . . . . . 0.43 HG22 ' H ' ' T' ' 53' ' ' THR . 0.1 OUTLIER -77.6 152.96 81.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.21 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.33 -5.24 14.51 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.241 1.96 . . . . 0.0 111.748 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -80.06 -33.12 39.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.53 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -80.19 -52.13 8.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.595 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 20.8 mt -52.19 -43.89 64.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.627 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 58' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' T' ' 62' ' ' ASP . 7.2 tp-100 -43.47 -35.74 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.567 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -50.96 -49.95 59.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.297 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 48.9 mmm -58.79 -41.31 86.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.335 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 61' ' ' ILE . . . . . 0.708 ' N ' HD12 ' T' ' 61' ' ' ILE . 2.1 mp -80.86 -13.91 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.489 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 62' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' T' ' 58' ' ' GLN . 27.1 t70 -71.56 -72.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.361 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -39.33 -42.6 1.06 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.665 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 64' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' T' ' 66' ' ' GLU . 25.0 m -74.35 -45.0 47.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.239 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 65' ' ' ASP . . . . . 0.447 ' N ' HG23 ' T' ' 64' ' ' VAL . 12.7 m-20 -59.78 78.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.468 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 66' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' T' ' 64' ' ' VAL . 67.5 mm-40 -71.55 -30.43 65.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.305 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 67' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' T' ' 67' ' ' ASP . 14.5 p30 -79.91 -19.41 48.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.462 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.31 33.25 49.41 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 57.4 p -82.65 -24.19 33.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.71 0.29 . . . . 0.0 110.533 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.67 35.19 26.07 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 71' ' ' THR . . . . . 0.416 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 80.6 p -149.76 -179.53 7.19 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.835 0.35 . . . . 0.0 110.712 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 90.6 t -134.94 88.58 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 73' ' ' ASP . . . . . 0.505 ' C ' ' H ' ' T' ' 75' ' ' ASP . 37.0 p30 -83.22 164.76 19.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.506 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -55.11 -4.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 75' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' T' ' 73' ' ' ASP . 1.0 OUTLIER -82.24 -82.76 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.971 -179.786 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' T' T ' 76' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' T' ' 65' ' ' ASP . 19.4 pt-20 -63.41 2.35 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.988 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 77' ' ' PHE . . . . . 0.471 ' H ' ' C ' ' T' ' 75' ' ' ASP . 49.8 t80 -75.33 -44.47 45.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.356 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 78' ' ' LEU . . . . . 0.446 ' O ' ' CG2' ' T' ' 82' ' ' VAL . 39.6 mt -72.29 11.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.433 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 79' ' ' VAL . . . . . 0.434 ' H ' ' C ' ' T' ' 77' ' ' PHE . 64.7 t -105.99 -42.4 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 80' ' ' MET . . . . . 0.583 ' SD ' H152 ' T' ' 91' ' ' WW7 . 15.4 ttm -61.83 -41.95 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.883 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 81' ' ' MET . . . . . 0.551 ' HE2' H131 ' T' ' 91' ' ' WW7 . 9.8 mtt -78.89 -62.08 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.981 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 82' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' T' ' 78' ' ' LEU . 85.3 t -41.47 -38.84 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.965 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -75.88 -58.94 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.512 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 61.4 m -52.12 -27.35 13.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 11.7 mmt -72.3 -74.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.551 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -45.88 -25.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -159.23 112.71 2.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.508 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -78.32 112.81 15.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.581 179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' T' T ' 91' ' ' WW7 . . . . . 0.583 H152 ' SD ' ' T' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 56.4 mtp . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 47.29 37.72 6.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 3' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' T' ' 5' ' ' TYR . 29.3 m-20 -79.67 -47.46 15.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.682 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 4' ' ' ILE . . . . . 0.637 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.15 -15.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 -179.723 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' T' T ' 5' ' ' TYR . . . . . 0.522 ' N ' ' O ' ' T' ' 3' ' ' ASP . 64.5 m-85 -88.66 -49.94 6.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.838 0.352 . . . . 0.0 110.499 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -46.58 -29.5 1.85 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.548 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.17 96.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.657 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.97 -14.2 58.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.717 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 90.0 t -77.56 -44.38 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.66 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -60.7 -18.73 56.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.617 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -78.47 -22.99 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 mt -79.82 121.76 25.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 13' ' ' THR . . . . . 0.479 ' C ' ' H ' ' T' ' 15' ' ' GLU . 28.7 m -75.97 158.67 31.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.428 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 14' ' ' GLU . . . . . 0.457 ' N ' HG22 ' T' ' 13' ' ' THR . 31.3 mt-10 -66.31 5.86 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.64 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 15' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' T' ' 13' ' ' THR . 35.7 mt-10 -88.03 -54.67 4.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.929 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 16' ' ' GLN . . . . . 0.487 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -71.15 -11.25 60.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.086 -179.521 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' T' T ' 17' ' ' LYS . . . . . 0.487 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 79.9 mttt -74.16 -36.81 64.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.441 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -70.28 -18.94 63.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -71.36 -37.27 71.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.655 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 20' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' T' ' 23' ' ' ALA . 72.4 m-85 -76.95 -58.39 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.662 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -43.98 -21.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.655 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 22' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' T' ' 20' ' ' PHE . . . -75.52 -36.44 60.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.366 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 23' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -67.68 -41.09 84.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.397 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -50.24 -56.92 9.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.22 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -41.95 -32.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 11.0 mm -74.89 -53.93 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.67 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 27' ' ' PHE . . . . . 0.512 ' CD1' HG21 ' T' ' 44' ' ' VAL . 71.8 m-85 -56.46 -13.94 2.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 6.9 m -149.6 56.66 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.443 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 pp -82.08 18.52 1.34 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.62 -28.15 0.02 OUTLIER Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.62 140.62 34.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 0.0 110.627 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -48.07 -91.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 33' ' ' ASP . . . . . 0.477 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 10.5 p30 -55.54 -102.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.53 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 34' ' ' GLY . . . . . 0.477 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . -176.5 23.04 0.05 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 62.5 p -80.47 125.7 30.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.491 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 36' ' ' ILE . . . . . 0.478 ' CD1' ' H6 ' ' T' ' 91' ' ' WW7 . 40.9 mt -88.62 152.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.686 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 37' ' ' SER . . . . . 0.476 ' C ' ' H ' ' T' ' 39' ' ' LYS . 10.5 t -156.98 165.25 36.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.505 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 34.7 p -50.24 -10.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.798 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 39' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' T' ' 37' ' ' SER . 89.8 mttt -77.6 -56.47 4.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.667 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -86.52 -3.2 58.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.772 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.32 -64.3 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.392 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.83 -39.31 4.82 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 43' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' T' ' 46' ' ' ARG . 91.1 mttt -46.74 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 0.0 110.709 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 44' ' ' VAL . . . . . 0.512 HG21 ' CD1' ' T' ' 27' ' ' PHE . 86.4 t -43.91 -40.78 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 19.5 mmt -67.57 -27.59 67.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.563 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 46' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' T' ' 43' ' ' LYS . 70.1 ttt180 -48.84 -35.62 15.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.489 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 68.6 mtm -67.69 -40.87 84.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 48' ' ' LEU . . . . . 0.586 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -70.11 -2.4 12.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.12 46.39 9.3 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -142.17 150.04 40.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.875 0.369 . . . . 0.0 110.259 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -171.11 58.98 0.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.06 -174.7 2.04 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.772 2.315 . . . . 0.0 111.863 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.61 153.28 95.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.053 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.28 -4.97 15.45 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.292 1.994 . . . . 0.0 111.767 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -81.5 -30.76 33.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -79.2 -34.5 42.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.702 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 42.3 mt -70.82 -48.59 53.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.669 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 58' ' ' GLN . . . . . 0.423 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.4 tp-100 -45.25 -34.02 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.574 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -56.64 -33.67 66.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.427 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 49.0 mmm -76.55 -36.93 57.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.561 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 61' ' ' ILE . . . . . 0.666 ' N ' HD12 ' T' ' 61' ' ' ILE . 2.1 mp -81.96 -12.41 12.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.222 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.66 -50.63 11.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.975 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -52.09 -41.91 62.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.874 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 64' ' ' VAL . . . . . 0.53 HG23 ' N ' ' T' ' 65' ' ' ASP . 31.6 m -77.2 -45.68 29.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.773 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 65' ' ' ASP . . . . . 0.53 ' N ' HG23 ' T' ' 64' ' ' VAL . 27.0 m-20 -59.29 80.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.446 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 66' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' T' ' 64' ' ' VAL . 10.5 mm-40 -63.4 -33.14 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.351 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 67' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' T' ' 67' ' ' ASP . 23.0 p-10 -82.34 -23.47 35.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.483 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.9 33.3 42.03 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 19.0 p -79.87 -24.61 41.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 110.631 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.15 38.28 13.48 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 54.6 p -152.49 126.1 8.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.785 0.326 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 97.3 t -83.7 88.66 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 73' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' T' ' 75' ' ' ASP . 5.6 p30 -71.45 174.33 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.234 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 74' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 60.2 t80 -77.72 5.1 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.663 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 75' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' T' ' 73' ' ' ASP . 6.0 m-20 -95.74 -72.16 0.64 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.819 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -62.4 -3.81 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.972 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 77' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -70.72 -57.68 4.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.358 . . . . 0.0 110.351 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 78' ' ' LEU . . . . . 0.411 ' O ' HG23 ' T' ' 82' ' ' VAL . 31.1 mt -52.51 -20.08 2.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.374 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 56.8 t -79.84 -23.51 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.516 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 80' ' ' MET . . . . . 0.72 ' SD ' H151 ' T' ' 91' ' ' WW7 . 26.8 ttm -72.5 -39.56 67.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.634 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 81' ' ' MET . . . . . 0.548 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -76.32 -59.6 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.657 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' T' T ' 82' ' ' VAL . . . . . 0.411 HG23 ' O ' ' T' ' 78' ' ' LEU . 99.2 t -44.66 -45.16 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.759 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -70.63 -60.52 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.552 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 42.3 m -46.29 -41.37 13.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.592 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 64.8 mtt -67.06 -74.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.643 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -61.45 -70.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -73.01 63.73 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -66.36 130.49 43.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 20.8 p . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.61 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' T' T ' 91' ' ' WW7 . . . . . 0.72 H151 ' SD ' ' T' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 50.8 mtp . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 52.75 43.36 31.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 3' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' T' ' 5' ' ' TYR . 24.3 m-20 -79.71 -50.95 9.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 4' ' ' ILE . . . . . 0.631 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.0 -15.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.187 -179.735 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' T' T ' 5' ' ' TYR . . . . . 0.526 ' N ' ' O ' ' T' ' 3' ' ' ASP . 58.8 m-85 -89.26 -58.3 2.58 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.828 0.347 . . . . 0.0 110.431 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -52.62 -36.62 56.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.495 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.94 -35.47 45.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.545 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.45 -34.21 67.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.28 -20.92 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.499 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -75.93 -21.9 56.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.508 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -74.94 -24.26 58.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.498 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.16 122.67 23.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.54 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 13' ' ' THR . . . . . . . . . . . . . 9.9 m -78.82 157.62 28.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -71.12 60.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.543 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 15' ' ' GLU . . . . . 0.424 ' O ' ' OE2' ' T' ' 19' ' ' GLU . 57.1 mt-10 -151.77 -45.78 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.05 9.4 5.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.564 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -97.78 -39.34 9.08 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.524 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -44.96 -25.91 0.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 19' ' ' GLU . . . . . 0.589 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.3 pm0 -80.88 -51.5 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.437 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -59.88 -34.02 72.61 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.381 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -77.47 -28.86 52.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.466 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.24 -6.8 57.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.425 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.06 -56.07 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.51 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 24' ' ' PHE . . . . . 0.404 ' O ' HG22 ' T' ' 28' ' ' VAL . 79.7 m-85 -45.6 -49.47 14.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.545 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.59 -42.92 7.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.778 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 mm -59.79 -64.42 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.627 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 27' ' ' PHE . . . . . 0.511 ' CE1' HG21 ' T' ' 44' ' ' VAL . 97.6 m-85 -45.58 -68.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.593 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 28' ' ' VAL . . . . . 0.404 HG22 ' O ' ' T' ' 24' ' ' PHE . 13.7 m -83.56 49.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.608 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 29' ' ' LEU . . . . . 0.616 ' C ' HD12 ' T' ' 29' ' ' LEU . 2.0 pp -69.55 -0.96 7.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.022 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 30' ' ' GLY . . . . . 0.601 ' N ' HD12 ' T' ' 29' ' ' LEU . . . -174.43 25.0 0.07 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.76 154.03 34.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.44 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -46.9 -87.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 33' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' T' ' 34' ' ' GLY . 8.5 p30 -81.34 -102.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.56 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 34' ' ' GLY . . . . . 0.508 ' N ' ' OD1' ' T' ' 33' ' ' ASP . . . -164.08 78.22 0.14 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 90.5 p -154.11 126.09 7.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.841 0.353 . . . . 0.0 110.496 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 36' ' ' ILE . . . . . 0.458 HG22 ' N ' ' T' ' 37' ' ' SER . 62.7 mt -78.47 157.37 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.523 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 37' ' ' SER . . . . . 0.458 ' N ' HG22 ' T' ' 36' ' ' ILE . 11.7 t -160.06 162.43 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 38' ' ' THR . . . . . 0.416 ' H ' HG23 ' T' ' 38' ' ' THR . 30.8 p -46.64 -16.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.612 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 39' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' T' ' 37' ' ' SER . 93.2 mttt -76.12 -55.02 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.619 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -84.15 -7.19 59.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.626 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -70.2 0.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.24 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.23 -37.2 10.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -47.18 -43.34 21.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 110.655 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 44' ' ' VAL . . . . . 0.511 HG21 ' CE1' ' T' ' 27' ' ' PHE . 98.9 t -76.31 -53.73 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 56.4 mtp -57.74 -9.26 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.612 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -64.84 -45.83 84.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.616 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 48.9 mtt -51.57 -34.24 35.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.447 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 48' ' ' LEU . . . . . 0.584 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -78.99 10.4 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.358 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.55 -5.33 30.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -81.76 133.92 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.561 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -161.16 59.58 1.12 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.6 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.44 -170.3 0.79 Allowed 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.785 2.323 . . . . 0.0 111.865 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 53' ' ' THR . . . . . 0.42 ' CG2' ' OE2' ' T' ' 56' ' ' GLU . 0.1 OUTLIER -72.81 152.55 91.21 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.084 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.74 -6.35 18.37 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.221 1.947 . . . . 0.0 111.696 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -81.5 -29.98 33.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.487 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 56' ' ' GLU . . . . . 0.42 ' OE2' ' CG2' ' T' ' 53' ' ' THR . 43.5 mt-10 -77.89 -40.45 39.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.65 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.29 -48.89 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.565 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 58' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' T' ' 62' ' ' ASP . 7.6 tp-100 -45.5 -30.65 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.628 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.63 -34.67 71.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.481 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 59.4 mmm -75.03 -39.37 61.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.58 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 61' ' ' ILE . . . . . 0.717 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.9 mp -79.59 -24.66 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.431 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 62' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' T' ' 58' ' ' GLN . 14.3 t70 -62.05 -61.9 2.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.86 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -47.36 -70.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 64' ' ' VAL . . . . . 0.522 HG23 ' N ' ' T' ' 65' ' ' ASP . 31.7 m -43.98 -43.87 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 65' ' ' ASP . . . . . 0.522 ' N ' HG23 ' T' ' 64' ' ' VAL . 26.7 m-20 -62.39 73.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.489 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 66' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' T' ' 64' ' ' VAL . 67.6 mm-40 -80.59 37.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.454 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 67' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -158.39 17.78 0.22 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.612 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.42 90.21 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 54.7 p -150.0 -29.88 0.22 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.799 0.333 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 70' ' ' GLY . . . . . 0.401 ' CA ' ' OD2' ' T' ' 65' ' ' ASP . . . 79.32 3.76 88.71 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 71' ' ' THR . . . . . 0.422 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 31.0 p -107.37 172.63 6.72 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.872 0.368 . . . . 0.0 110.476 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 96.0 t -139.68 88.31 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.347 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 50.9 p30 -72.44 -168.42 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.336 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 74' ' ' PHE . . . . . 0.512 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 45.8 t80 -84.23 11.85 7.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.668 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 75' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -98.78 -94.53 0.24 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 76' ' ' GLU . . . . . 0.413 ' OE2' ' OD1' ' T' ' 65' ' ' ASP . 20.2 pt-20 -42.34 -25.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.166 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 77' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -50.38 -40.06 48.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.342 . . . . 0.0 110.508 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 78' ' ' LEU . . . . . 0.45 ' O ' HG23 ' T' ' 82' ' ' VAL . 34.1 mt -78.69 -20.96 48.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.311 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 79' ' ' VAL . . . . . 0.442 ' O ' HG12 ' T' ' 79' ' ' VAL . 45.4 t -78.77 -9.45 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.647 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 80' ' ' MET . . . . . 0.734 ' CE ' H162 ' T' ' 91' ' ' WW7 . 37.9 ttp -77.04 -54.58 6.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.998 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 81' ' ' MET . . . . . 0.748 ' SD ' H122 ' T' ' 91' ' ' WW7 . 27.7 mtm -79.71 -53.01 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 82' ' ' VAL . . . . . 0.45 HG23 ' O ' ' T' ' 78' ' ' LEU . 82.1 t -41.55 -34.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.897 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -78.36 -39.17 40.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 84' ' ' SER . . . . . 0.418 ' N ' ' O ' ' T' ' 81' ' ' MET . 65.7 m -77.32 -20.2 55.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.549 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 39.3 mtt -80.04 -70.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.576 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -47.47 -27.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.609 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -159.33 106.31 1.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.559 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -78.39 157.75 28.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.577 179.893 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' T' T ' 91' ' ' WW7 . . . . . 0.748 H122 ' SD ' ' T' ' 81' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 70.0 mtp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 47.04 60.74 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' T' ' 5' ' ' TYR . 34.8 m-20 -80.37 -61.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.688 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 4' ' ' ILE . . . . . 0.65 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.01 -15.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.212 -179.766 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' T' T ' 5' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' T' ' 3' ' ' ASP . 57.4 m-85 -91.54 -56.91 2.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.835 0.35 . . . . 0.0 110.522 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -51.79 -19.45 1.68 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.51 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.96 -39.08 69.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.535 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.65 -40.24 63.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 61.3 t -51.8 -29.66 11.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.487 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -73.99 -23.87 59.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.564 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -78.24 -22.84 47.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 mt -78.32 110.53 13.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 13' ' ' THR . . . . . 0.482 ' C ' ' H ' ' T' ' 15' ' ' GLU . 5.6 m -71.46 159.51 34.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.437 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -67.51 7.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.716 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 15' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' T' ' 13' ' ' THR . 47.5 mt-10 -86.99 -48.91 7.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 16' ' ' GLN . . . . . 0.521 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -79.55 -14.68 58.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 -179.62 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' T' T ' 17' ' ' LYS . . . . . 0.521 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 79.8 mttt -67.61 -39.58 84.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.918 0.39 . . . . 0.0 110.297 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -55.49 -28.24 53.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -66.31 -47.58 73.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 20' ' ' PHE . . . . . 0.511 ' O ' ' N ' ' T' ' 22' ' ' ALA . 56.8 m-85 -70.18 -59.5 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.538 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -41.26 -21.17 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.796 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 22' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -79.4 -40.31 30.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.396 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 23' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -54.37 -43.1 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.431 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 24' ' ' PHE . . . . . 0.5 ' CZ ' ' CD2' ' T' ' 77' ' ' PHE . 48.8 m-85 -45.5 -57.83 3.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.382 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -47.22 -51.58 18.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.685 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 11.2 mm -51.6 -48.25 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.591 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 27' ' ' PHE . . . . . 0.544 ' CE1' HG21 ' T' ' 44' ' ' VAL . 54.9 m-85 -67.21 -69.38 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.192 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 28' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' T' ' 35' ' ' SER . 9.4 m -88.26 63.84 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.466 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 29' ' ' LEU . . . . . 0.401 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -82.02 29.08 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.024 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 163.21 25.65 0.02 OUTLIER Glycine 0 CA--C 1.525 0.662 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.361 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.71 177.8 7.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.818 0.342 . . . . 0.0 110.523 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -79.36 -78.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 33' ' ' ASP . . . . . 0.489 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 12.9 p-10 -80.14 -69.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 34' ' ' GLY . . . . . 0.489 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 163.38 29.72 0.02 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 35' ' ' SER . . . . . 0.463 ' O ' ' CG1' ' T' ' 28' ' ' VAL . 94.0 p -85.75 165.63 16.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.805 0.336 . . . . 0.0 110.543 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 36' ' ' ILE . . . . . 0.503 HG22 ' N ' ' T' ' 37' ' ' SER . 67.7 mt -131.47 160.12 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 37' ' ' SER . . . . . 0.503 ' N ' HG22 ' T' ' 36' ' ' ILE . 24.6 t -159.57 176.64 11.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.62 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 38' ' ' THR . . . . . 0.42 ' N ' ' OG ' ' T' ' 37' ' ' SER . 6.8 p -59.93 -0.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 39' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' T' ' 37' ' ' SER . 91.1 mttt -83.9 -60.56 2.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.888 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -83.22 6.44 19.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.066 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.86 -71.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.397 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.98 -44.69 7.41 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -43.68 -40.23 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.701 0.286 . . . . 0.0 111.002 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 44' ' ' VAL . . . . . 0.544 HG21 ' CE1' ' T' ' 27' ' ' PHE . 87.5 t -79.95 -59.52 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.723 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 59.2 mtp -55.63 -5.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.645 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 46' ' ' ARG . . . . . 0.482 ' H ' ' C ' ' T' ' 44' ' ' VAL . 70.1 ttt180 -80.07 -52.29 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.612 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 60.2 mtm -45.02 -28.62 0.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.653 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 48' ' ' LEU . . . . . 0.578 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -70.71 -60.12 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.238 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 158.49 -12.81 0.23 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -83.67 165.87 18.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 0.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 51' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' T' ' 51' ' ' ASN . 0.7 OUTLIER -167.85 58.76 0.42 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.585 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.04 172.0 17.23 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.752 2.301 . . . . 0.0 111.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.69 153.34 80.91 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.127 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.42 -9.83 21.71 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 122.302 2.001 . . . . 0.0 111.657 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -83.09 -33.58 26.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.557 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -81.62 -30.02 33.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 57' ' ' LEU . . . . . 0.419 ' C ' ' N ' ' T' ' 59' ' ' GLU . 17.2 mt -68.71 -46.23 69.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 58' ' ' GLN . . . . . 0.423 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.9 tp-100 -46.63 -20.66 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.334 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 59' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' T' ' 57' ' ' LEU . 72.2 mt-10 -66.27 -37.36 85.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.486 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 55.2 mmm -70.51 -35.54 73.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 61' ' ' ILE . . . . . 0.735 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.9 mp -77.84 -13.6 14.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.362 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 62' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' T' ' 64' ' ' VAL . 10.5 t70 -81.29 -42.04 21.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.845 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.7 29.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.855 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 64' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' T' ' 66' ' ' GLU . 10.9 m -154.01 -34.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.457 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 65' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' T' ' 71' ' ' THR . 16.1 m-20 -61.88 73.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.417 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 66' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' T' ' 64' ' ' VAL . 34.4 mm-40 -66.83 -31.33 71.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.386 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -84.49 2.93 38.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.532 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 45.73 83.71 0.02 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.761 -0.935 . . . . 0.0 110.761 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 20.8 p -142.72 -12.47 0.77 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.73 0.3 . . . . 0.0 110.682 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.68 44.29 49.2 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 71' ' ' THR . . . . . 0.401 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 59.0 p -151.87 -168.44 3.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 0.0 110.443 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 72' ' ' VAL . . . . . 0.584 HG11 ' H6 ' ' T' ' 91' ' ' WW7 . 25.1 t -147.47 73.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.543 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 41.0 p30 -60.16 -162.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.326 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 74' ' ' PHE . . . . . 0.525 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 45.7 t80 -86.6 -4.27 59.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.652 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 75' ' ' ASP . . . . . 0.481 ' C ' ' N ' ' T' ' 77' ' ' PHE . 4.7 m-20 -81.22 -88.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -46.51 -14.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.738 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 77' ' ' PHE . . . . . 0.878 ' CE2' ' H7 ' ' T' ' 91' ' ' WW7 . 29.3 t80 -46.74 -53.87 10.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.493 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.64 -49.09 57.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.501 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -46.59 -21.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.682 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 80' ' ' MET . . . . . 0.592 ' SD ' H152 ' T' ' 91' ' ' WW7 . 50.4 ttm -70.84 -62.76 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.579 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 81' ' ' MET . . . . . 0.415 ' SD ' ' N ' ' T' ' 81' ' ' MET . 1.8 mpt? -70.59 -47.56 59.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.618 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 90.4 t -44.38 -49.32 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.762 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -68.23 -62.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 69.1 m -46.85 -31.61 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.591 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 7.3 mmt -77.93 -69.23 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.624 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -50.73 -22.88 2.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.623 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -158.13 100.71 1.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.547 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' T' T ' 88' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' T' ' 88' ' ' ASP . 1.5 p30 -78.37 125.42 29.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.542 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.577 179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' T' T ' 91' ' ' WW7 . . . . . 0.878 ' H7 ' ' CE2' ' T' ' 77' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 41.2 mtp . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 52.31 48.65 22.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.519 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 3' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' T' ' 5' ' ' TYR . 13.5 m-20 -80.01 -53.29 6.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 4' ' ' ILE . . . . . 0.649 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.0 -15.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.762 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' T' T ' 5' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' T' ' 3' ' ' ASP . 58.1 m-85 -89.65 -39.56 13.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.864 0.364 . . . . 0.0 110.466 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 6' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' T' ' 3' ' ' ASP . 10.1 mmmt -60.64 -49.42 77.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.374 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.67 -32.05 7.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.552 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.5 67.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 18.8 t -72.37 -31.71 39.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.51 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -61.71 -24.27 66.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.582 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -77.42 -32.23 54.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 17.0 mt -72.55 125.37 27.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 13' ' ' THR . . . . . 0.479 ' C ' ' H ' ' T' ' 15' ' ' GLU . 8.8 m -78.97 157.85 28.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -63.58 1.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 15' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' T' ' 13' ' ' THR . 55.4 mt-10 -83.78 -59.82 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.754 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 16' ' ' GLN . . . . . 0.409 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -66.58 -11.64 54.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' T' T ' 17' ' ' LYS . . . . . 0.409 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 81.9 mttt -78.63 -28.65 45.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.815 0.341 . . . . 0.0 110.266 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -77.93 -15.4 59.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.422 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -75.88 -35.36 59.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 20' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' T' ' 23' ' ' ALA . 56.0 m-85 -74.87 -58.22 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.673 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -43.92 -18.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.712 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 22' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -80.52 -36.17 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.393 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 23' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -64.75 -48.43 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.588 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -44.3 -50.03 9.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 25' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' T' ' 25' ' ' ASP . 1.0 OUTLIER -48.36 -39.13 21.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.276 179.839 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 13.8 mm -68.49 -37.48 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.408 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 27' ' ' PHE . . . . . 0.527 ' CD1' HG21 ' T' ' 44' ' ' VAL . 62.1 m-85 -72.62 -64.03 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.216 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 28' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' T' ' 35' ' ' SER . 9.7 m -90.46 62.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.543 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 29' ' ' LEU . . . . . 0.424 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -85.5 23.52 1.34 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.545 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' T' T ' 30' ' ' GLY . . . . . 0.414 ' H ' ' H ' ' T' ' 31' ' ' ALA . . . 170.88 16.3 0.02 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 31' ' ' ALA . . . . . 0.414 ' H ' ' H ' ' T' ' 30' ' ' GLY . . . -82.77 161.5 22.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.806 0.336 . . . . 0.0 110.548 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.76 -83.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 33' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' T' ' 34' ' ' GLY . 8.4 p30 -78.29 -102.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.527 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 34' ' ' GLY . . . . . 0.498 ' N ' ' OD1' ' T' ' 33' ' ' ASP . . . -157.0 30.25 0.54 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 35' ' ' SER . . . . . 0.467 ' O ' ' CG1' ' T' ' 28' ' ' VAL . 9.9 p -83.12 166.42 18.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.803 0.335 . . . . 0.0 110.506 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 36' ' ' ILE . . . . . 0.423 HD12 ' H6 ' ' T' ' 91' ' ' WW7 . 41.3 mt -136.82 89.93 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.481 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 37' ' ' SER . . . . . . . . . . . . . 23.2 t -79.79 -173.34 3.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.474 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 42.8 p -72.91 -9.07 58.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.582 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 39' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -80.35 -51.47 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.674 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -79.03 -0.92 33.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.76 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 41' ' ' LEU . . . . . 0.4 ' O ' HD13 ' T' ' 41' ' ' LEU . 0.2 OUTLIER -79.36 -62.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.429 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.16 -43.5 42.05 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -42.78 -52.92 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.629 0.252 . . . . 0.0 111.022 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 44' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' T' ' 27' ' ' PHE . 93.2 t -66.25 -53.44 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.72 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 20.8 mmt -50.21 -16.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 46' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' T' ' 44' ' ' VAL . 72.2 ttt180 -57.14 -58.47 8.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 61.4 mtm -54.21 -29.75 47.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.583 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 48' ' ' LEU . . . . . 0.602 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -76.95 13.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.33 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.59 43.25 99.53 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -141.07 158.73 43.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.747 0.308 . . . . 0.0 110.239 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -172.04 63.39 0.34 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.698 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -77.88 172.46 15.59 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.747 2.298 . . . . 0.0 112.013 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.28 153.46 95.18 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.182 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.14 -6.54 18.55 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.257 1.971 . . . . 0.0 111.8 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -83.83 -32.2 25.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.642 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.89 -37.66 34.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.716 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 29.0 mt -65.68 -43.3 89.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.582 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 58' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.7 tp-100 -46.95 -25.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.33 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -58.99 -39.47 81.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.352 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 59.5 mmm -68.96 -37.69 78.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.363 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 61' ' ' ILE . . . . . 0.718 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.9 mp -73.56 -32.2 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.119 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -78.54 44.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.663 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -149.02 -50.81 0.15 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.445 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 64' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' T' ' 66' ' ' GLU . 35.1 m -78.47 -38.75 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 65' ' ' ASP . . . . . 0.441 ' N ' HG23 ' T' ' 64' ' ' VAL . 56.5 m-20 -60.09 79.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.461 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 66' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' T' ' 64' ' ' VAL . 66.4 mm-40 -73.63 45.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.303 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 67' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' T' ' 69' ' ' SER . 1.7 p30 -158.64 -22.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.88 28.32 38.44 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 69' ' ' SER . . . . . 0.511 ' N ' ' OD1' ' T' ' 67' ' ' ASP . 45.4 p -82.12 -30.49 31.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.778 0.323 . . . . 0.0 110.611 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.42 41.27 16.97 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 71' ' ' THR . . . . . 0.441 ' N ' ' OD2' ' T' ' 65' ' ' ASP . 44.6 p -153.21 126.49 8.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.791 0.329 . . . . 0.0 110.613 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 96.4 t -85.72 87.47 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 73' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' T' ' 75' ' ' ASP . 10.0 p30 -62.43 -154.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -102.19 -9.77 20.17 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.561 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 75' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' T' ' 73' ' ' ASP . 5.4 m-20 -84.5 -87.94 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 76' ' ' GLU . . . . . 0.427 ' OE2' ' OD1' ' T' ' 65' ' ' ASP . 6.2 pt-20 -44.02 -17.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 77' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' T' ' 75' ' ' ASP . 48.2 t80 -50.83 -30.55 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.352 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 78' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' T' ' 80' ' ' MET . 23.7 mt -78.38 -53.76 6.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.267 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 79' ' ' VAL . . . . . 0.416 ' O ' HG12 ' T' ' 79' ' ' VAL . 41.2 t -51.06 -11.34 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.389 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 80' ' ' MET . . . . . 0.468 ' H ' ' C ' ' T' ' 78' ' ' LEU . 26.3 ttt -69.52 -66.25 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.876 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 81' ' ' MET . . . . . 0.633 ' SD ' H141 ' T' ' 91' ' ' WW7 . 25.1 mtm -81.46 -40.72 22.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 93.6 t -44.21 -33.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.685 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -78.48 -49.74 12.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.528 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -63.93 -26.16 68.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.609 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 70.2 mtp -78.82 -57.41 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.601 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -52.71 -26.92 15.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -160.92 106.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -77.46 149.47 35.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.571 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' T' T ' 91' ' ' WW7 . . . . . 0.633 H141 ' SD ' ' T' ' 81' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 58.2 mtp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 58.38 67.18 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.493 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 3' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' T' ' 5' ' ' TYR . 57.6 m-20 -82.58 -72.76 0.43 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.718 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 4' ' ' ILE . . . . . 0.654 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -43.52 -16.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.254 -179.635 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' T' T ' 5' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' T' ' 3' ' ' ASP . 54.7 m-85 -89.67 -49.72 6.49 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.801 0.334 . . . . 0.0 110.341 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -56.61 -40.17 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.31 -39.99 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.59 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.17 -42.07 39.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.611 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 63.1 t -56.54 -25.72 21.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -74.09 -28.33 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.633 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -72.74 -21.51 61.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -78.53 112.82 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.629 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 13' ' ' THR . . . . . 0.486 ' C ' ' H ' ' T' ' 15' ' ' GLU . 6.4 m -80.95 160.43 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -63.35 2.03 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.565 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 15' ' ' GLU . . . . . 0.486 ' H ' ' C ' ' T' ' 13' ' ' THR . 38.8 mt-10 -85.33 -51.72 6.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.58 5.66 8.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.974 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -97.42 -23.96 15.84 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.499 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -58.03 -26.59 62.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.779 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 19' ' ' GLU . . . . . 0.488 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.3 pm0 -80.93 -48.71 11.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.334 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -60.23 -57.39 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.447 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -48.29 -25.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.454 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.46 -42.95 24.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.426 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.6 -53.91 13.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.537 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 24' ' ' PHE . . . . . 0.407 ' O ' HG22 ' T' ' 28' ' ' VAL . 71.6 m-85 -42.65 -57.68 2.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.616 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -44.13 -34.32 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 mm -71.73 -58.4 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.607 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 27' ' ' PHE . . . . . 0.497 ' CD1' HG21 ' T' ' 44' ' ' VAL . 82.2 m-85 -55.95 -17.01 5.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.688 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 28' ' ' VAL . . . . . 0.407 HG22 ' O ' ' T' ' 24' ' ' PHE . 3.9 m -150.15 73.91 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.46 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 29' ' ' LEU . . . . . 0.437 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -95.6 24.36 5.32 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.23 5.41 0.07 OUTLIER Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.62 167.66 20.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.537 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -73.51 -71.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.401 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 33' ' ' ASP . . . . . 0.494 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 3.6 p-10 -80.41 -71.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 34' ' ' GLY . . . . . 0.494 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 157.69 23.65 0.03 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 56.8 p -82.97 127.2 33.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.351 . . . . 0.0 110.609 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 36' ' ' ILE . . . . . 0.443 HG22 ' N ' ' T' ' 37' ' ' SER . 55.6 mt -86.35 158.03 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.388 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 37' ' ' SER . . . . . 0.474 ' C ' ' H ' ' T' ' 39' ' ' LYS . 7.9 t -157.32 165.48 35.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.62 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 38' ' ' THR . . . . . 0.429 ' H ' HG23 ' T' ' 38' ' ' THR . 5.3 p -54.21 -6.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.734 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 39' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' T' ' 37' ' ' SER . 91.5 mttt -81.19 -57.76 3.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.894 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -85.66 5.68 30.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.998 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 41' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' T' ' 43' ' ' LYS . 0.2 OUTLIER -76.37 -70.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.281 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.42 -12.59 0.11 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 43' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' T' ' 41' ' ' LEU . 77.5 tttt -73.71 -40.86 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.74 0.305 . . . . 0.0 110.595 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 44' ' ' VAL . . . . . 0.497 HG21 ' CD1' ' T' ' 27' ' ' PHE . 98.8 t -79.26 -44.25 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.694 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 56.6 mtp -62.9 -12.24 23.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.67 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -70.06 -36.4 74.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.5 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 41.0 mtt -57.86 -34.99 70.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.612 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 48' ' ' LEU . . . . . 0.595 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -70.08 -79.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.359 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 170.25 41.26 0.03 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -140.95 164.07 31.25 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.799 0.333 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -172.05 60.25 0.28 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.717 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -76.65 -178.84 4.8 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.834 2.356 . . . . 0.0 111.961 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 53' ' ' THR . . . . . 0.428 ' H ' HG22 ' T' ' 53' ' ' THR . 0.1 OUTLIER -78.56 153.21 78.61 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.124 179.848 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -66.84 -3.7 9.93 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.231 1.954 . . . . 0.0 111.731 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -81.24 -34.6 32.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -81.79 -39.73 23.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.704 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 66.8 mt -61.66 -40.75 96.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.479 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 58' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.5 tp-100 -47.19 -30.54 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.238 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -56.91 -32.5 65.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.516 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 56.4 mmm -78.39 -40.07 37.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.5 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 61' ' ' ILE . . . . . 0.716 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.8 mp -77.54 -8.85 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -81.63 -59.98 2.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.771 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -45.6 -42.38 11.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.804 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 64' ' ' VAL . . . . . 0.475 HG23 ' N ' ' T' ' 65' ' ' ASP . 30.0 m -74.13 -44.31 50.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.717 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 65' ' ' ASP . . . . . 0.475 ' N ' HG23 ' T' ' 64' ' ' VAL . 32.9 m-20 -65.77 82.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.517 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 66' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -64.62 -35.01 79.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.4 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 67' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' T' ' 67' ' ' ASP . 16.0 p30 -81.09 -27.0 35.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.01 33.53 23.56 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 90.7 p -80.23 -20.72 43.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 110.598 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.35 40.08 11.72 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 71' ' ' THR . . . . . 0.429 ' O ' ' OE2' ' T' ' 76' ' ' GLU . 44.1 p -153.26 129.46 10.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.809 0.338 . . . . 0.0 110.401 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 58.8 t -83.6 85.08 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.51 154.08 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.292 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 74' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' T' ' 74' ' ' PHE . 45.8 t80 -60.15 -13.73 13.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 75' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -79.51 -64.41 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 76' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' T' ' 71' ' ' THR . 20.8 pt-20 -68.83 -10.43 56.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.81 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 77' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -62.64 -55.99 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.586 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 45.7 mt -51.2 -41.04 59.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.57 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.78 -32.34 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.499 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 4.3 ttt -59.36 -34.61 72.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.633 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 81' ' ' MET . . . . . 0.561 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -80.59 -59.75 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.763 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 38.8 t -43.03 -43.05 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 83' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' T' ' 87' ' ' ASP . 79.2 mtp180 -63.8 -70.95 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.481 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 5.6 m -46.89 -30.74 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.586 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 85' ' ' MET . . . . . 0.436 ' C ' ' N ' ' T' ' 87' ' ' ASP . 12.5 mmt -78.68 -83.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.606 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -50.21 -13.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.663 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' T' T ' 87' ' ' ASP . . . . . 0.436 ' N ' ' C ' ' T' ' 85' ' ' MET . 31.9 m-20 -158.49 92.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 88' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' T' ' 88' ' ' ASP . 22.3 p-10 -79.2 116.34 19.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.489 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 61.6 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.584 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' T' T ' 91' ' ' WW7 . . . . . 0.579 H132 ' C2 ' ' T' ' 91' ' ' WW7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 33.4 mtp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 49.56 47.13 23.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 3' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' T' ' 5' ' ' TYR . 11.4 m-20 -80.72 -51.68 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.644 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 4' ' ' ILE . . . . . 0.647 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.06 -15.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.185 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' T' T ' 5' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' T' ' 3' ' ' ASP . 58.8 m-85 -88.39 -45.99 9.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.776 0.322 . . . . 0.0 110.454 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -62.13 -23.98 66.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.47 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.17 80.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.14 -33.87 50.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.25 -28.37 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -72.65 -22.69 60.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -78.3 -29.62 47.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.591 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.39 123.66 22.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.6 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 13' ' ' THR . . . . . 0.414 HG22 ' H ' ' T' ' 14' ' ' GLU . 3.3 m -74.93 -128.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 14' ' ' GLU . . . . . 0.414 ' H ' HG22 ' T' ' 13' ' ' THR . 69.6 mt-10 -132.19 -19.67 2.49 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 15' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.78 -39.19 70.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.436 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 16' ' ' GLN . . . . . 0.427 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -78.98 -13.26 59.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.469 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' T' T ' 17' ' ' LYS . . . . . 0.427 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 72.3 tttt -74.33 -48.76 26.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -59.3 -17.02 25.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.6 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -73.59 -43.04 60.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.527 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 20' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' T' ' 23' ' ' ALA . 80.6 m-85 -74.93 -55.96 5.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.512 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -44.8 -36.57 3.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.706 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.08 70.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.466 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 23' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -67.39 -49.39 64.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 24' ' ' PHE . . . . . 0.444 ' O ' HG22 ' T' ' 28' ' ' VAL . 55.9 m-85 -45.65 -53.39 9.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.467 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -43.1 -45.2 5.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.646 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 11.3 mm -63.43 -52.01 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.582 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 27' ' ' PHE . . . . . 0.514 ' CE1' HG21 ' T' ' 44' ' ' VAL . 66.5 m-85 -60.8 -20.74 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.689 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 28' ' ' VAL . . . . . 0.444 HG22 ' O ' ' T' ' 24' ' ' PHE . 4.3 m -149.92 72.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.415 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 29' ' ' LEU . . . . . 0.438 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -96.24 22.57 7.55 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.583 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -169.8 3.32 0.04 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.25 158.15 29.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.765 0.316 . . . . 0.0 110.609 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -56.29 -82.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.476 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 33' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 4.6 p-10 -78.78 -69.56 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.502 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 34' ' ' GLY . . . . . 0.479 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 159.11 30.55 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 59.8 p -80.94 118.95 22.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.815 0.34 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 41.4 mt -83.86 154.74 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.571 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 37' ' ' SER . . . . . 0.489 ' C ' ' H ' ' T' ' 39' ' ' LYS . 23.0 t -157.42 166.75 32.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 38' ' ' THR . . . . . 0.442 ' H ' HG23 ' T' ' 38' ' ' THR . 5.3 p -51.84 -8.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.77 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 39' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' T' ' 37' ' ' SER . 83.7 mttt -78.18 -58.74 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.82 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -84.83 0.83 49.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.88 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 41' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' T' ' 43' ' ' LYS . 0.2 OUTLIER -73.91 -65.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.287 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.32 -7.63 1.36 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 43' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' T' ' 41' ' ' LEU . 85.2 tttt -74.77 -42.33 58.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 0.0 110.572 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 44' ' ' VAL . . . . . 0.514 HG21 ' CE1' ' T' ' 27' ' ' PHE . 44.8 t -78.04 -44.11 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 16.5 mmt -59.31 -12.23 5.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.558 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -73.99 -42.57 60.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.586 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 69.7 mtm -60.05 -28.41 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.589 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 48' ' ' LEU . . . . . 0.588 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -74.47 -78.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.377 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 49' ' ' GLY . . . . . 0.424 ' O ' ' OE1' ' T' ' 50' ' ' GLN . . . 170.68 32.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 50' ' ' GLN . . . . . 0.424 ' OE1' ' O ' ' T' ' 49' ' ' GLY . 28.5 mm100 -136.83 164.46 28.24 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 110.312 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -173.29 61.94 0.27 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.646 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -77.01 -178.6 4.7 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.702 2.268 . . . . 0.0 112.044 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.32 153.14 79.24 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.22 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -67.98 -8.78 23.65 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.287 1.991 . . . . 0.0 111.777 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -80.59 -32.56 36.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.482 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -79.96 -46.81 16.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.658 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 22.9 mt -55.92 -41.87 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.678 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -45.89 -30.96 1.91 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.481 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -61.09 -33.16 72.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.559 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 56.1 mmm -75.04 -29.62 60.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.665 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 61' ' ' ILE . . . . . 0.668 ' N ' HD12 ' T' ' 61' ' ' ILE . 2.0 mp -89.99 -19.9 7.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -78.58 -19.84 51.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.186 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 63' ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' T' ' 63' ' ' GLU . 4.0 pt-20 -80.36 -36.3 34.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.88 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 64' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' T' ' 66' ' ' GLU . 8.5 m -88.19 -32.96 6.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.888 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 65' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' T' ' 67' ' ' ASP . 15.6 m-20 -58.75 78.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.51 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 66' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' T' ' 64' ' ' VAL . 66.8 mm-40 -79.77 33.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.22 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 67' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' T' ' 65' ' ' ASP . 14.1 p-10 -155.84 8.09 0.24 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.564 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.63 81.6 0.03 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 75.7 p -144.37 -7.56 0.69 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.723 0.297 . . . . 0.0 110.638 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 60.01 54.18 39.56 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 44.3 p -153.06 170.99 19.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.768 0.318 . . . . 0.0 110.458 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 89.9 t -145.76 85.33 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 73' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' T' ' 75' ' ' ASP . 11.7 p30 -81.3 164.64 22.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.354 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -53.97 -6.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.786 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 75' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' T' ' 73' ' ' ASP . 63.3 m-20 -80.36 -93.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.87 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -47.67 -12.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 77' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' T' ' 75' ' ' ASP . 79.0 t80 -63.28 -58.67 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.548 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 46.0 mt -47.95 -43.41 29.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.398 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 46.4 t -51.46 -49.32 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 26.8 ttm -46.81 -56.62 5.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.547 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 81' ' ' MET . . . . . 0.543 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -59.07 -58.83 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.638 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 86.5 t -43.64 -41.47 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.851 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -64.89 -72.01 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.544 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 24.9 m -46.12 -33.89 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.662 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 18.8 mmt -68.26 -74.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.636 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -53.0 -20.37 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.664 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -160.42 103.79 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -78.78 148.88 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.574 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 37.3 mtp . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.95 52.69 14.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.581 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 3' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' T' ' 5' ' ' TYR . 66.6 m-20 -79.97 -55.22 5.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 4' ' ' ILE . . . . . 0.647 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.03 -15.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 -179.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' T' T ' 5' ' ' TYR . . . . . 0.525 ' N ' ' O ' ' T' ' 3' ' ' ASP . 57.3 m-85 -89.96 -46.49 8.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.818 0.342 . . . . 0.0 110.467 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -57.41 -40.38 78.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.531 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.83 -31.76 63.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.615 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.51 -39.62 52.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.611 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.19 -22.95 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.566 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -78.24 -25.38 46.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.674 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -75.66 -20.58 58.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.563 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -76.85 118.83 19.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 13' ' ' THR . . . . . . . . . . . . . 3.8 m -62.98 -127.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -139.44 -32.13 0.66 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.781 0.324 . . . . 0.0 110.317 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -67.45 -33.62 75.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.425 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -10.33 59.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -83.07 -12.12 57.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.601 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 18' ' ' ASN . . . . . 0.554 HD22 ' N ' ' T' ' 18' ' ' ASN . 1.0 OUTLIER -67.72 -64.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.926 -179.809 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' T' T ' 19' ' ' GLU . . . . . 0.583 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.0 pm0 -40.49 -42.97 1.74 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.046 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 20' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' T' ' 23' ' ' ALA . 45.1 m-85 -62.87 -67.34 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.443 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -46.8 -36.57 7.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.412 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.0 -29.39 68.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.39 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 23' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -61.82 -53.74 51.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.408 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 24' ' ' PHE . . . . . 0.521 ' O ' ' N ' ' T' ' 27' ' ' PHE . 60.1 m-85 -44.06 -52.9 6.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -43.78 -30.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.639 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 mm -81.19 -29.69 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.574 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 27' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' T' ' 24' ' ' PHE . 76.3 m-85 -85.12 -64.54 1.14 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.443 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 31.4 m -79.52 48.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.71 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 29' ' ' LEU . . . . . 0.422 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -79.37 31.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.613 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 173.83 -18.15 0.05 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.02 137.86 57.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 110.65 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.65 -87.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.522 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 33' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 3.0 p-10 -49.99 -72.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.495 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 34' ' ' GLY . . . . . 0.493 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 158.32 29.53 0.02 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 88.8 p -86.45 159.52 19.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.819 0.342 . . . . 0.0 110.706 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 76.6 mt -133.56 88.97 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.486 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 37' ' ' SER . . . . . . . . . . . . . 23.2 t -82.65 -159.42 0.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.481 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 20.8 p -80.14 -1.89 42.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 39' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -83.83 -53.56 5.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 40' ' ' GLU . . . . . 0.4 ' OE1' HD11 ' T' ' 29' ' ' LEU . 77.7 mm-40 -79.32 1.73 24.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.785 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.57 -66.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.282 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -45.9 -44.59 13.48 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -44.25 -44.79 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.663 0.268 . . . . 0.0 110.847 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 44' ' ' VAL . . . . . 0.509 HG21 ' CD1' ' T' ' 27' ' ' PHE . 91.2 t -77.25 -58.38 4.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.73 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 22.3 mmt -49.3 -13.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.528 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 46' ' ' ARG . . . . . 0.464 ' N ' ' C ' ' T' ' 44' ' ' VAL . 77.7 ttt180 -75.02 -33.29 61.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.614 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 26.1 mtt -63.61 -39.54 94.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.607 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 48' ' ' LEU . . . . . 0.597 ' N ' HD12 ' T' ' 48' ' ' LEU . 8.3 mp -64.41 -77.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.343 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 49' ' ' GLY . . . . . 0.427 ' O ' ' OE1' ' T' ' 50' ' ' GLN . . . 169.17 33.8 0.02 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 50' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' T' ' 49' ' ' GLY . 28.6 mm100 -138.33 150.18 46.35 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -161.6 59.76 1.09 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.14 -170.47 0.79 Allowed 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.744 2.296 . . . . 0.0 111.923 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.76 152.3 80.23 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.234 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.48 -6.31 18.65 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.211 1.94 . . . . 0.0 111.824 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -81.29 -38.38 26.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.606 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -78.62 -29.38 45.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.649 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.56 -31.09 69.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.478 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 58' ' ' GLN . . . . . 0.411 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.3 tp-100 -61.15 -26.44 67.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.473 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.7 -22.67 64.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.517 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 59.4 mmm -82.01 -28.3 32.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.694 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 61' ' ' ILE . . . . . 0.739 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.8 mp -90.63 -27.88 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.396 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.09 -21.42 64.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.308 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -79.25 -39.44 33.06 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.9 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 64' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' T' ' 66' ' ' GLU . 5.5 m -87.51 -14.83 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.758 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 65' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' T' ' 67' ' ' ASP . 48.8 m-20 -62.49 72.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.754 0.312 . . . . 0.0 110.363 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 66' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' T' ' 64' ' ' VAL . 55.5 mm-40 -77.37 22.61 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.21 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 67' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' T' ' 65' ' ' ASP . 11.0 p30 -156.29 9.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.449 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.33 84.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 86.6 p -149.98 -5.76 0.34 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.666 0.27 . . . . 0.0 110.662 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.17 51.28 47.7 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 17.7 p -151.55 121.96 7.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.735 0.303 . . . . 0.0 110.513 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 38.8 t -87.57 73.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 73' ' ' ASP . . . . . 0.451 ' C ' ' H ' ' T' ' 75' ' ' ASP . 3.5 p30 -66.79 162.3 21.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.399 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 74' ' ' PHE . . . . . 0.443 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 57.3 t80 -63.26 1.84 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 75' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' T' ' 73' ' ' ASP . 6.7 m-20 -89.61 -73.56 0.51 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.818 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -66.2 -8.48 24.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.923 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 77' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' T' ' 80' ' ' MET . 87.5 t80 -66.57 -60.3 2.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.525 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 42.4 mt -46.72 -28.74 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.451 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.92 -30.27 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.45 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 80' ' ' MET . . . . . 0.476 ' N ' ' O ' ' T' ' 77' ' ' PHE . 31.5 ttm -54.77 -35.21 63.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.564 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' T' T ' 81' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -79.81 -58.35 3.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.629 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 56.2 t -44.14 -30.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.806 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -76.1 -76.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.59 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 48.8 m -46.39 -25.4 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 10.2 mmt -78.33 -75.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -57.46 -12.94 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -158.49 94.21 1.25 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.584 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -78.96 106.57 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 22.3 p . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.521 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 27.4 mtt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 51.14 39.03 22.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' T' ' 5' ' ' TYR . 4.8 m-20 -79.68 -48.17 14.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.659 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 4' ' ' ILE . . . . . 0.646 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.09 -15.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.204 -179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' T' T ' 5' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' T' ' 3' ' ' ASP . 60.5 m-85 -87.57 -65.47 1.01 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.456 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -47.3 -21.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.502 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.26 -40.12 86.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.561 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.65 -15.79 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 62.3 t -76.22 -25.88 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -71.26 -19.4 62.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.545 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -78.05 -29.93 49.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 mt -72.17 119.41 16.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.534 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 13' ' ' THR . . . . . . . . . . . . . 17.8 m -80.71 156.35 26.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.532 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.82 61.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.434 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 15' ' ' GLU . . . . . 0.416 ' O ' ' OE2' ' T' ' 19' ' ' GLU . 34.2 mt-10 -152.1 -40.05 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.462 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.37 6.5 16.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.565 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -97.22 -37.88 9.91 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.468 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 18' ' ' ASN . . . . . 0.645 ' H ' HD22 ' T' ' 18' ' ' ASN . 1.3 m-80 -45.26 -28.07 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.903 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 19' ' ' GLU . . . . . 0.544 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.3 pm0 -78.45 -48.73 14.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.219 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -64.08 -52.43 59.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.425 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -55.13 -27.13 43.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.79 -29.05 58.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.452 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.79 -52.18 66.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.477 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 24' ' ' PHE . . . . . 0.405 ' O ' HG22 ' T' ' 28' ' ' VAL . 75.0 m-85 -44.22 -51.03 8.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.606 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 25' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' T' ' 25' ' ' ASP . 2.2 m-20 -46.69 -37.29 8.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.47 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 12.1 mm -71.35 -34.1 52.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 27' ' ' PHE . . . . . 0.4 ' CD1' HG21 ' T' ' 44' ' ' VAL . 67.9 m-85 -77.85 -66.12 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.285 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 28' ' ' VAL . . . . . 0.405 HG22 ' O ' ' T' ' 24' ' ' PHE . 12.4 m -81.1 56.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.581 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 29' ' ' LEU . . . . . 0.412 ' HG ' ' H ' ' T' ' 29' ' ' LEU . 0.3 OUTLIER -82.42 25.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.449 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 178.1 -17.13 0.03 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.74 130.76 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.469 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -50.48 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.666 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 33' ' ' ASP . . . . . 0.484 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 10.1 p30 -79.29 -103.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.533 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 34' ' ' GLY . . . . . 0.484 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . -165.24 81.85 0.11 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 43.3 p -145.38 114.05 6.79 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.834 0.349 . . . . 0.0 110.444 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -84.19 100.93 8.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.678 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 37' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' T' ' 38' ' ' THR . 41.2 t -86.52 -168.47 2.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.495 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 38' ' ' THR . . . . . 0.473 ' N ' ' OG ' ' T' ' 37' ' ' SER . 21.8 p -80.02 -5.89 56.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.644 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 39' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -82.11 -52.01 7.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.827 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -79.97 0.56 31.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -71.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.413 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 42' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' T' ' 46' ' ' ARG . . . -49.42 -46.52 36.35 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -43.36 -42.91 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.945 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 44' ' ' VAL . . . . . 0.4 HG21 ' CD1' ' T' ' 27' ' ' PHE . 92.5 t -77.45 -46.11 28.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.696 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 58.8 mtp -72.69 1.1 9.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.644 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 46' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' T' ' 42' ' ' GLY . 66.4 ttt180 -78.83 -32.44 46.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.586 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 61.0 mtm -65.7 -35.35 80.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.646 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 48' ' ' LEU . . . . . 0.578 ' N ' HD12 ' T' ' 48' ' ' LEU . 8.4 mp -62.83 -76.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.331 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 49' ' ' GLY . . . . . 0.411 ' O ' ' OE1' ' T' ' 50' ' ' GLN . . . 165.5 52.33 0.02 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 50' ' ' GLN . . . . . 0.411 ' OE1' ' O ' ' T' ' 49' ' ' GLY . 17.7 mm100 -140.65 153.65 46.09 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 110.267 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -162.12 60.02 1.05 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.713 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -76.44 -174.91 2.3 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.835 2.357 . . . . 0.0 111.96 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 53' ' ' THR . . . . . 0.451 ' C ' ' H ' ' T' ' 55' ' ' GLU . 0.1 OUTLIER -80.71 152.13 71.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.229 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -71.95 32.69 0.26 Allowed 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.263 1.975 . . . . 0.0 111.822 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 55' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' T' ' 53' ' ' THR . 41.1 tt0 -131.3 -27.02 2.03 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.471 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -79.01 -16.7 56.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.457 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 57' ' ' LEU . . . . . 0.436 ' C ' ' N ' ' T' ' 59' ' ' GLU . 40.8 mt -75.72 -52.41 10.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 58' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -46.16 -18.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.429 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 59' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' T' ' 57' ' ' LEU . 30.2 mt-10 -70.81 -36.01 72.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 63.0 mmm -74.14 -37.55 64.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.554 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 61' ' ' ILE . . . . . 0.683 ' N ' HD12 ' T' ' 61' ' ' ILE . 2.0 mp -76.51 -19.53 14.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -69.63 -63.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.128 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -42.27 -45.86 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.262 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 64' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' T' ' 66' ' ' GLU . 31.6 m -74.28 -44.53 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.043 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 65' ' ' ASP . . . . . 0.455 ' N ' HG23 ' T' ' 64' ' ' VAL . 12.8 m-20 -58.9 79.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.631 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 66' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' T' ' 64' ' ' VAL . 62.4 mm-40 -72.42 -25.18 61.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.147 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 67' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -87.05 -7.37 58.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.533 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 57.9 81.76 0.07 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 37.6 p -142.01 -20.0 0.72 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.658 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.99 47.67 7.48 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 71' ' ' THR . . . . . 0.431 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 76.0 p -149.66 171.25 16.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.71 0.29 . . . . 0.0 110.481 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 63.0 t -144.2 82.63 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 110.518 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 73' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' T' ' 75' ' ' ASP . 15.1 p-10 -82.21 164.07 21.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.289 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -51.68 -8.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 75' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' T' ' 73' ' ' ASP . 2.0 m-20 -79.02 -90.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.88 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -51.91 -10.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.013 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 77' ' ' PHE . . . . . 0.427 ' H ' ' C ' ' T' ' 75' ' ' ASP . 74.8 t80 -64.86 -53.5 45.69 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.535 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 42.9 mt -52.02 -29.27 20.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 22.9 t -70.88 -21.23 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.509 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 26.7 ttm -72.77 -40.68 65.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.569 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 81' ' ' MET . . . . . 0.514 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -77.19 -56.36 4.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.505 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 97.0 t -44.73 -62.59 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.677 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -47.33 -60.28 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.508 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 69.6 m -51.38 -38.98 56.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.497 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 20.8 mmt -72.16 -71.22 0.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.556 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -50.59 -18.95 0.77 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.639 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -158.98 99.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.632 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' T' T ' 88' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' T' ' 88' ' ' ASP . 27.9 p30 -79.37 129.96 34.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.563 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' T' T ' 1' ' ' MET . . . . . 0.416 ' O ' ' OD1' ' T' ' 3' ' ' ASP . 52.6 mtp . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 48.91 36.99 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 3' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' T' ' 5' ' ' TYR . 8.6 m-20 -78.92 -47.52 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.678 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 4' ' ' ILE . . . . . 0.644 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.17 -15.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 -179.732 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' T' T ' 5' ' ' TYR . . . . . 0.515 ' N ' ' O ' ' T' ' 3' ' ' ASP . 60.6 m-85 -86.98 -49.37 7.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.505 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -53.35 -42.18 66.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.58 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.38 -37.39 7.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.519 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.65 -30.37 59.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 42.0 t -65.52 -13.67 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.576 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -79.29 -28.0 42.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.506 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -77.02 -23.84 52.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 12' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' T' ' 13' ' ' THR . 12.7 mt -77.6 113.6 15.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 13' ' ' THR . . . . . 0.423 ' O ' ' O ' ' T' ' 12' ' ' LEU . 3.5 m -60.55 -128.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 14' ' ' GLU . . . . . 0.41 ' H ' HG22 ' T' ' 13' ' ' THR . 44.0 mt-10 -137.3 -14.63 1.5 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.847 0.356 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 15' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -79.85 -28.7 40.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.395 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -10.26 59.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.503 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -77.73 -46.87 20.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.372 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 18' ' ' ASN . . . . . 0.746 ' H ' HD22 ' T' ' 18' ' ' ASN . 1.1 m-80 -54.39 -31.48 54.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.582 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -59.63 -45.6 91.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 20' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' T' ' 23' ' ' ALA . 78.5 m-85 -73.54 -57.09 4.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -45.08 -30.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.735 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.91 -32.94 74.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.486 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 23' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -67.09 -48.73 67.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.609 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 24' ' ' PHE . . . . . 0.404 ' O ' HG22 ' T' ' 28' ' ' VAL . 52.5 m-85 -45.27 -51.32 11.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.45 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -47.06 -33.63 5.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.449 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 13.5 mm -74.33 -39.93 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.561 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 27' ' ' PHE . . . . . 0.472 ' CD1' HG21 ' T' ' 44' ' ' VAL . 68.6 m-85 -70.5 -63.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.276 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 28' ' ' VAL . . . . . 0.404 HG22 ' O ' ' T' ' 24' ' ' PHE . 15.8 m -86.94 57.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.631 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 29' ' ' LEU . . . . . 0.412 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -77.23 10.99 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.698 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 176.53 22.3 0.03 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.32 150.7 31.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.589 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -53.24 -83.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.521 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 33' ' ' ASP . . . . . 0.489 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 5.4 p-10 -77.11 -67.76 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.555 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 34' ' ' GLY . . . . . 0.489 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 165.31 28.16 0.02 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 64.3 p -86.28 168.88 13.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.509 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 36' ' ' ILE . . . . . 0.405 HG22 ' N ' ' T' ' 37' ' ' SER . 64.6 mt -132.21 154.61 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.318 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 37' ' ' SER . . . . . 0.498 ' O ' ' N ' ' T' ' 39' ' ' LYS . 8.6 t -159.92 169.91 22.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 38' ' ' THR . . . . . 0.427 HG23 ' H ' ' T' ' 38' ' ' THR . 4.9 p -45.89 -14.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 39' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' T' ' 37' ' ' SER . 88.2 mttt -74.49 -57.81 3.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.791 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -88.72 4.4 47.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -69.64 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.343 . . . . 0.0 110.435 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 42' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' T' ' 45' ' ' MET . . . -52.68 -44.82 60.44 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -43.31 -37.28 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.642 0.258 . . . . 0.0 111.01 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 44' ' ' VAL . . . . . 0.472 HG21 ' CD1' ' T' ' 27' ' ' PHE . 92.8 t -79.95 -32.12 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.644 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 45' ' ' MET . . . . . 0.403 ' N ' ' O ' ' T' ' 42' ' ' GLY . 1.2 mmt -74.35 -2.53 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.604 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -78.2 -47.25 18.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.552 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 54.6 mtm -47.15 -52.13 16.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.604 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 48' ' ' LEU . . . . . 0.59 ' N ' HD12 ' T' ' 48' ' ' LEU . 9.9 mp -54.79 -83.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.296 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 49' ' ' GLY . . . . . 0.422 ' O ' ' OE1' ' T' ' 50' ' ' GLN . . . 170.48 41.04 0.03 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 50' ' ' GLN . . . . . 0.422 ' OE1' ' O ' ' T' ' 49' ' ' GLY . 18.1 mm100 -136.72 160.12 39.78 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -171.9 62.18 0.33 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -77.27 177.41 8.9 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.678 2.252 . . . . 0.0 112.039 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 53' ' ' THR . . . . . 0.419 HG22 ' H ' ' T' ' 53' ' ' THR . 0.1 OUTLIER -72.12 153.04 92.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.173 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.74 -7.71 21.3 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.311 2.007 . . . . 0.0 111.765 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -78.81 -37.61 40.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.46 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -79.7 -28.04 40.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.577 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 57' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' T' ' 59' ' ' GLU . 17.5 mt -73.21 -52.23 14.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.5 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 58' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 8.1 tp-100 -43.49 -18.73 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 59' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' T' ' 57' ' ' LEU . 76.5 mt-10 -60.86 -65.23 0.72 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.463 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 62.5 mmm -45.75 -32.91 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.612 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 61' ' ' ILE . . . . . 0.672 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.9 mp -76.87 -62.39 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -46.21 -14.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 63' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' T' ' 61' ' ' ILE . 72.3 mt-10 -81.53 -91.44 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 64' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' T' ' 66' ' ' GLU . 31.1 m -43.81 -20.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 65' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' T' ' 67' ' ' ASP . 12.4 m-20 -59.0 82.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.377 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 66' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' T' ' 64' ' ' VAL . 50.9 mm-40 -76.51 28.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.262 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 67' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' T' ' 65' ' ' ASP . 9.4 p30 -156.48 10.74 0.25 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.461 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.41 30.7 2.12 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 95.1 p -77.94 -15.91 58.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.331 . . . . 0.0 110.663 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.57 42.83 79.51 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 52.5 p -152.33 -171.47 3.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.808 0.337 . . . . 0.0 110.541 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 89.2 t -149.45 87.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.442 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 32.8 p30 -73.79 -162.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.384 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 74' ' ' PHE . . . . . 0.404 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 47.6 t80 -88.5 6.31 38.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.761 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 75' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' T' ' 77' ' ' PHE . 16.7 m-20 -95.29 -88.23 0.26 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.993 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -46.32 -13.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.069 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 77' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' T' ' 75' ' ' ASP . 70.3 t80 -65.91 -66.21 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.449 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 78' ' ' LEU . . . . . 0.402 ' O ' HG23 ' T' ' 82' ' ' VAL . 34.8 mt -46.7 -21.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.472 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 5.2 t -77.76 -34.31 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.561 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 80' ' ' MET . . . . . 0.447 ' N ' ' O ' ' T' ' 77' ' ' PHE . 27.7 ttm -62.09 -33.88 75.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.644 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 81' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -79.23 -60.31 2.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.727 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' T' T ' 82' ' ' VAL . . . . . 0.402 HG23 ' O ' ' T' ' 78' ' ' LEU . 96.2 t -44.79 -50.62 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.682 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -59.15 -66.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.497 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 59.6 m -48.37 -34.54 10.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.687 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 63.8 mtt -77.9 -72.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.609 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -47.1 -23.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.558 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -160.58 97.9 1.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.524 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 40.9 p-10 -77.94 142.84 38.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.509 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.52 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 70.3 mtp . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 48.15 61.66 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.47 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 3' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' T' ' 5' ' ' TYR . 62.1 m-20 -81.2 -61.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.753 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 4' ' ' ILE . . . . . 0.638 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -43.85 -15.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.225 -179.665 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' T' T ' 5' ' ' TYR . . . . . 0.52 ' N ' ' O ' ' T' ' 3' ' ' ASP . 56.0 m-85 -90.56 -46.85 8.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.744 0.306 . . . . 0.0 110.449 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -68.8 -23.16 64.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.35 -31.9 72.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.611 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.36 -40.17 37.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.495 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 88.5 t -51.5 -25.78 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.57 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -75.47 -26.05 57.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.624 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -77.49 -26.83 51.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 mt -72.47 119.23 16.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.63 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 13' ' ' THR . . . . . 0.478 ' C ' ' H ' ' T' ' 15' ' ' GLU . 6.2 m -77.38 160.04 29.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 14' ' ' GLU . . . . . 0.516 ' O ' ' ND2' ' T' ' 18' ' ' ASN . 71.5 mt-10 -65.05 4.12 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.591 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 15' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' T' ' 13' ' ' THR . 41.1 mt-10 -85.47 -52.92 5.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 16' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -74.82 -11.15 60.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.906 -179.707 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' T' T ' 17' ' ' LYS . . . . . 0.41 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 85.5 mttt -78.47 -43.12 27.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.35 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 18' ' ' ASN . . . . . 0.644 HD22 ' N ' ' T' ' 18' ' ' ASN . 0.8 OUTLIER -60.42 -19.69 57.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.504 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -74.73 -40.48 61.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.557 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 20' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' T' ' 23' ' ' ALA . 62.7 m-85 -74.97 -54.48 7.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.526 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -46.51 -22.31 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.419 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 22' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' T' ' 20' ' ' PHE . . . -77.08 -34.48 56.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.335 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 23' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -61.79 -52.21 65.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.396 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -43.23 -51.28 6.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.631 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 25' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' T' ' 25' ' ' ASP . 0.8 OUTLIER -47.5 -41.12 20.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.518 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -64.45 -34.72 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 27' ' ' PHE . . . . . 0.557 ' CD1' HG21 ' T' ' 44' ' ' VAL . 70.0 m-85 -77.03 -70.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.34 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 28' ' ' VAL . . . . . 0.436 ' H ' HG22 ' T' ' 28' ' ' VAL . 15.9 m -81.93 56.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.571 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 29' ' ' LEU . . . . . 0.422 HD12 ' N ' ' T' ' 30' ' ' GLY . 0.3 OUTLIER -80.94 9.05 7.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.578 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' T' T ' 30' ' ' GLY . . . . . 0.422 ' N ' HD12 ' T' ' 29' ' ' LEU . . . -168.93 25.97 0.12 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.56 159.57 28.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.754 0.311 . . . . 0.0 110.582 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.97 -70.65 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 33' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' T' ' 33' ' ' ASP . 8.9 p30 -80.07 -74.84 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.53 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 34' ' ' GLY . . . . . 0.484 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 158.89 74.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 11.1 p -155.41 134.03 11.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.816 0.341 . . . . 0.0 110.603 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 36' ' ' ILE . . . . . 0.526 HG22 ' N ' ' T' ' 37' ' ' SER . 69.2 mt -78.63 160.57 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.661 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 37' ' ' SER . . . . . 0.526 ' N ' HG22 ' T' ' 36' ' ' ILE . 17.1 t -164.16 162.04 22.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.654 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 38' ' ' THR . . . . . 0.413 ' H ' HG23 ' T' ' 38' ' ' THR . 4.7 p -47.8 -14.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.697 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 39' ' ' LYS . . . . . 0.463 ' N ' ' C ' ' T' ' 37' ' ' SER . 94.3 mttt -78.32 -53.04 7.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -86.27 -5.47 59.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -66.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.428 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.56 -38.96 5.63 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -45.75 -68.39 0.2 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.827 0.346 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 44' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' T' ' 27' ' ' PHE . 92.8 t -50.28 -46.23 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 18.9 mmt -54.95 -16.23 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.767 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -64.95 -53.8 40.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.557 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 53.7 mtm -46.98 -35.57 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.564 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 48' ' ' LEU . . . . . 0.596 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -69.62 -80.6 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 164.97 36.78 0.02 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -141.11 154.23 45.81 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.842 0.354 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -166.0 60.42 0.63 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.641 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.95 -173.95 1.87 Allowed 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.695 2.264 . . . . 0.0 111.994 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 53' ' ' THR . . . . . 0.43 HG22 ' H ' ' T' ' 53' ' ' THR . 0.1 OUTLIER -77.6 152.96 81.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.21 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.33 -5.24 14.51 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.241 1.96 . . . . 0.0 111.748 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -80.06 -33.12 39.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.53 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -80.19 -52.13 8.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.595 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 20.8 mt -52.19 -43.89 64.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.627 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 58' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' T' ' 62' ' ' ASP . 7.2 tp-100 -43.47 -35.74 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.567 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -50.96 -49.95 59.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.297 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 48.9 mmm -58.79 -41.31 86.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.335 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 61' ' ' ILE . . . . . 0.708 ' N ' HD12 ' T' ' 61' ' ' ILE . 2.1 mp -80.86 -13.91 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.489 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 62' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' T' ' 58' ' ' GLN . 27.1 t70 -71.56 -72.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.361 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -39.33 -42.6 1.06 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.665 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 64' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' T' ' 66' ' ' GLU . 25.0 m -74.35 -45.0 47.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.239 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 65' ' ' ASP . . . . . 0.447 ' N ' HG23 ' T' ' 64' ' ' VAL . 12.7 m-20 -59.78 78.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.468 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 66' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' T' ' 64' ' ' VAL . 67.5 mm-40 -71.55 -30.43 65.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.305 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 67' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' T' ' 67' ' ' ASP . 14.5 p30 -79.91 -19.41 48.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.462 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.31 33.25 49.41 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 57.4 p -82.65 -24.19 33.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.71 0.29 . . . . 0.0 110.533 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.67 35.19 26.07 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 71' ' ' THR . . . . . 0.416 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 80.6 p -149.76 -179.53 7.19 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.835 0.35 . . . . 0.0 110.712 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 90.6 t -134.94 88.58 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 73' ' ' ASP . . . . . 0.505 ' C ' ' H ' ' T' ' 75' ' ' ASP . 37.0 p30 -83.22 164.76 19.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.506 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -55.11 -4.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 75' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' T' ' 73' ' ' ASP . 1.0 OUTLIER -82.24 -82.76 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.971 -179.786 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' T' T ' 76' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' T' ' 65' ' ' ASP . 19.4 pt-20 -63.41 2.35 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.988 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 77' ' ' PHE . . . . . 0.471 ' H ' ' C ' ' T' ' 75' ' ' ASP . 49.8 t80 -75.33 -44.47 45.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.356 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 78' ' ' LEU . . . . . 0.446 ' O ' ' CG2' ' T' ' 82' ' ' VAL . 39.6 mt -72.29 11.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.433 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 79' ' ' VAL . . . . . 0.434 ' H ' ' C ' ' T' ' 77' ' ' PHE . 64.7 t -105.99 -42.4 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 15.4 ttm -61.83 -41.95 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.883 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 81' ' ' MET . . . . . . . . . . . . . 9.8 mtt -78.89 -62.08 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.981 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 82' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' T' ' 78' ' ' LEU . 85.3 t -41.47 -38.84 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.965 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -75.88 -58.94 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.512 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 61.4 m -52.12 -27.35 13.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 11.7 mmt -72.3 -74.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.551 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -45.88 -25.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -159.23 112.71 2.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.508 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -78.32 112.81 15.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.581 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 56.4 mtp . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 47.29 37.72 6.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 3' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' T' ' 5' ' ' TYR . 29.3 m-20 -79.67 -47.46 15.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.682 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 4' ' ' ILE . . . . . 0.637 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.15 -15.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 -179.723 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' T' T ' 5' ' ' TYR . . . . . 0.522 ' N ' ' O ' ' T' ' 3' ' ' ASP . 64.5 m-85 -88.66 -49.94 6.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.838 0.352 . . . . 0.0 110.499 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -46.58 -29.5 1.85 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.548 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.17 96.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.657 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.97 -14.2 58.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.717 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 90.0 t -77.56 -44.38 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.66 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -60.7 -18.73 56.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.617 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -78.47 -22.99 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 mt -79.82 121.76 25.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 13' ' ' THR . . . . . 0.479 ' C ' ' H ' ' T' ' 15' ' ' GLU . 28.7 m -75.97 158.67 31.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.428 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 14' ' ' GLU . . . . . 0.457 ' N ' HG22 ' T' ' 13' ' ' THR . 31.3 mt-10 -66.31 5.86 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.64 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 15' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' T' ' 13' ' ' THR . 35.7 mt-10 -88.03 -54.67 4.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.929 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 16' ' ' GLN . . . . . 0.487 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -71.15 -11.25 60.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.086 -179.521 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' T' T ' 17' ' ' LYS . . . . . 0.487 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 79.9 mttt -74.16 -36.81 64.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.441 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 18' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' T' ' 14' ' ' GLU . 1.7 m-80 -70.28 -18.94 63.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.566 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -71.36 -37.27 71.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.655 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 20' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' T' ' 23' ' ' ALA . 72.4 m-85 -76.95 -58.39 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.662 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -43.98 -21.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.655 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 22' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' T' ' 20' ' ' PHE . . . -75.52 -36.44 60.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.366 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 23' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -67.68 -41.09 84.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.397 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -50.24 -56.92 9.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.22 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -41.95 -32.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 11.0 mm -74.89 -53.93 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.67 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 27' ' ' PHE . . . . . 0.512 ' CD1' HG21 ' T' ' 44' ' ' VAL . 71.8 m-85 -56.46 -13.94 2.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 6.9 m -149.6 56.66 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.443 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 pp -82.08 18.52 1.34 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.62 -28.15 0.02 OUTLIER Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.62 140.62 34.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 0.0 110.627 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -48.07 -91.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 33' ' ' ASP . . . . . 0.477 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 10.5 p30 -55.54 -102.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.53 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 34' ' ' GLY . . . . . 0.477 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . -176.5 23.04 0.05 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 62.5 p -80.47 125.7 30.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.491 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 40.9 mt -88.62 152.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.686 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 37' ' ' SER . . . . . 0.476 ' C ' ' H ' ' T' ' 39' ' ' LYS . 10.5 t -156.98 165.25 36.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.505 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 34.7 p -50.24 -10.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.798 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 39' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' T' ' 37' ' ' SER . 89.8 mttt -77.6 -56.47 4.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.667 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -86.52 -3.2 58.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.772 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.32 -64.3 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.392 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.83 -39.31 4.82 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 43' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' T' ' 46' ' ' ARG . 91.1 mttt -46.74 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 0.0 110.709 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 44' ' ' VAL . . . . . 0.512 HG21 ' CD1' ' T' ' 27' ' ' PHE . 86.4 t -43.91 -40.78 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 19.5 mmt -67.57 -27.59 67.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.563 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 46' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' T' ' 43' ' ' LYS . 70.1 ttt180 -48.84 -35.62 15.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.489 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 68.6 mtm -67.69 -40.87 84.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 48' ' ' LEU . . . . . 0.586 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -70.11 -2.4 12.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.12 46.39 9.3 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -142.17 150.04 40.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.875 0.369 . . . . 0.0 110.259 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -171.11 58.98 0.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.06 -174.7 2.04 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.772 2.315 . . . . 0.0 111.863 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.61 153.28 95.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.053 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.28 -4.97 15.45 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.292 1.994 . . . . 0.0 111.767 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -81.5 -30.76 33.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -79.2 -34.5 42.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.702 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 42.3 mt -70.82 -48.59 53.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.669 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 58' ' ' GLN . . . . . 0.423 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.4 tp-100 -45.25 -34.02 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.574 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -56.64 -33.67 66.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.427 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 49.0 mmm -76.55 -36.93 57.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.561 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 61' ' ' ILE . . . . . 0.666 ' N ' HD12 ' T' ' 61' ' ' ILE . 2.1 mp -81.96 -12.41 12.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.222 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.66 -50.63 11.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.975 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -52.09 -41.91 62.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.874 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 64' ' ' VAL . . . . . 0.53 HG23 ' N ' ' T' ' 65' ' ' ASP . 31.6 m -77.2 -45.68 29.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.773 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 65' ' ' ASP . . . . . 0.53 ' N ' HG23 ' T' ' 64' ' ' VAL . 27.0 m-20 -59.29 80.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.446 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 66' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' T' ' 64' ' ' VAL . 10.5 mm-40 -63.4 -33.14 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.351 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 67' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' T' ' 67' ' ' ASP . 23.0 p-10 -82.34 -23.47 35.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.483 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.9 33.3 42.03 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 19.0 p -79.87 -24.61 41.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 110.631 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.15 38.28 13.48 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 54.6 p -152.49 126.1 8.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.785 0.326 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 97.3 t -83.7 88.66 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 73' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' T' ' 75' ' ' ASP . 5.6 p30 -71.45 174.33 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.234 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 74' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 60.2 t80 -77.72 5.1 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.663 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 75' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' T' ' 73' ' ' ASP . 6.0 m-20 -95.74 -72.16 0.64 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.819 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -62.4 -3.81 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.972 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 77' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -70.72 -57.68 4.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.358 . . . . 0.0 110.351 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 78' ' ' LEU . . . . . 0.411 ' O ' HG23 ' T' ' 82' ' ' VAL . 31.1 mt -52.51 -20.08 2.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.374 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 56.8 t -79.84 -23.51 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.516 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 26.8 ttm -72.5 -39.56 67.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.634 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 81' ' ' MET . . . . . 0.548 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -76.32 -59.6 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.657 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' T' T ' 82' ' ' VAL . . . . . 0.411 HG23 ' O ' ' T' ' 78' ' ' LEU . 99.2 t -44.66 -45.16 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.759 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -70.63 -60.52 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.552 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 42.3 m -46.29 -41.37 13.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.592 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 64.8 mtt -67.06 -74.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.643 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -61.45 -70.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -73.01 63.73 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -66.36 130.49 43.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 20.8 p . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.61 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 50.8 mtp . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 52.75 43.36 31.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 3' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' T' ' 5' ' ' TYR . 24.3 m-20 -79.71 -50.95 9.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 4' ' ' ILE . . . . . 0.631 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.0 -15.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.187 -179.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' T' T ' 5' ' ' TYR . . . . . 0.526 ' N ' ' O ' ' T' ' 3' ' ' ASP . 58.8 m-85 -89.26 -58.3 2.58 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.828 0.347 . . . . 0.0 110.431 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -52.62 -36.62 56.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.495 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.94 -35.47 45.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.545 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.45 -34.21 67.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.28 -20.92 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.499 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -75.93 -21.9 56.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.508 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -74.94 -24.26 58.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.498 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.16 122.67 23.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.54 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 13' ' ' THR . . . . . . . . . . . . . 9.9 m -78.82 157.62 28.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -71.12 60.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.543 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 15' ' ' GLU . . . . . 0.424 ' O ' ' OE2' ' T' ' 19' ' ' GLU . 57.1 mt-10 -151.77 -45.78 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.05 9.4 5.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.564 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -97.78 -39.34 9.08 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.524 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 18' ' ' ASN . . . . . 0.654 ' H ' HD22 ' T' ' 18' ' ' ASN . 1.2 m-80 -44.96 -25.91 0.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 19' ' ' GLU . . . . . 0.589 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.3 pm0 -80.88 -51.5 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.437 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -59.88 -34.02 72.61 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.381 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -77.47 -28.86 52.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.466 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.24 -6.8 57.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.425 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.06 -56.07 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.51 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 24' ' ' PHE . . . . . 0.404 ' O ' HG22 ' T' ' 28' ' ' VAL . 79.7 m-85 -45.6 -49.47 14.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.545 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.59 -42.92 7.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.778 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 mm -59.79 -64.42 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.627 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 27' ' ' PHE . . . . . 0.511 ' CE1' HG21 ' T' ' 44' ' ' VAL . 97.6 m-85 -45.58 -68.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.593 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 28' ' ' VAL . . . . . 0.404 HG22 ' O ' ' T' ' 24' ' ' PHE . 13.7 m -83.56 49.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.608 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 29' ' ' LEU . . . . . 0.616 ' C ' HD12 ' T' ' 29' ' ' LEU . 2.0 pp -69.55 -0.96 7.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.022 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 30' ' ' GLY . . . . . 0.601 ' N ' HD12 ' T' ' 29' ' ' LEU . . . -174.43 25.0 0.07 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.76 154.03 34.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.44 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -46.9 -87.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 33' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' T' ' 34' ' ' GLY . 8.5 p30 -81.34 -102.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.56 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 34' ' ' GLY . . . . . 0.508 ' N ' ' OD1' ' T' ' 33' ' ' ASP . . . -164.08 78.22 0.14 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 90.5 p -154.11 126.09 7.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.841 0.353 . . . . 0.0 110.496 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 36' ' ' ILE . . . . . 0.458 HG22 ' N ' ' T' ' 37' ' ' SER . 62.7 mt -78.47 157.37 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.523 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 37' ' ' SER . . . . . 0.458 ' N ' HG22 ' T' ' 36' ' ' ILE . 11.7 t -160.06 162.43 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 38' ' ' THR . . . . . 0.416 ' H ' HG23 ' T' ' 38' ' ' THR . 30.8 p -46.64 -16.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.612 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 39' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' T' ' 37' ' ' SER . 93.2 mttt -76.12 -55.02 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.619 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -84.15 -7.19 59.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.626 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -70.2 0.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.24 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.23 -37.2 10.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -47.18 -43.34 21.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 110.655 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 44' ' ' VAL . . . . . 0.511 HG21 ' CE1' ' T' ' 27' ' ' PHE . 98.9 t -76.31 -53.73 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 56.4 mtp -57.74 -9.26 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.612 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -64.84 -45.83 84.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.616 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 48.9 mtt -51.57 -34.24 35.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.447 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 48' ' ' LEU . . . . . 0.584 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -78.99 10.4 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.358 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.55 -5.33 30.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -81.76 133.92 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.561 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 51' ' ' ASN . . . . . 0.533 ' C ' HD22 ' T' ' 51' ' ' ASN . 0.1 OUTLIER -161.16 59.58 1.12 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.6 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.44 -170.3 0.79 Allowed 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.785 2.323 . . . . 0.0 111.865 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 53' ' ' THR . . . . . 0.42 ' CG2' ' OE2' ' T' ' 56' ' ' GLU . 0.1 OUTLIER -72.81 152.55 91.21 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.084 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.74 -6.35 18.37 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.221 1.947 . . . . 0.0 111.696 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -81.5 -29.98 33.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.487 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 56' ' ' GLU . . . . . 0.42 ' OE2' ' CG2' ' T' ' 53' ' ' THR . 43.5 mt-10 -77.89 -40.45 39.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.65 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.29 -48.89 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.565 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 58' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' T' ' 62' ' ' ASP . 7.6 tp-100 -45.5 -30.65 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.628 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.63 -34.67 71.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.481 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 59.4 mmm -75.03 -39.37 61.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.58 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 61' ' ' ILE . . . . . 0.717 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.9 mp -79.59 -24.66 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.431 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 62' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' T' ' 58' ' ' GLN . 14.3 t70 -62.05 -61.9 2.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.86 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -47.36 -70.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 64' ' ' VAL . . . . . 0.522 HG23 ' N ' ' T' ' 65' ' ' ASP . 31.7 m -43.98 -43.87 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 65' ' ' ASP . . . . . 0.522 ' N ' HG23 ' T' ' 64' ' ' VAL . 26.7 m-20 -62.39 73.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.489 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 66' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' T' ' 64' ' ' VAL . 67.6 mm-40 -80.59 37.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.454 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 67' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -158.39 17.78 0.22 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.612 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.42 90.21 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 54.7 p -150.0 -29.88 0.22 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.799 0.333 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 70' ' ' GLY . . . . . 0.401 ' CA ' ' OD2' ' T' ' 65' ' ' ASP . . . 79.32 3.76 88.71 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 71' ' ' THR . . . . . 0.422 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 31.0 p -107.37 172.63 6.72 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.872 0.368 . . . . 0.0 110.476 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 96.0 t -139.68 88.31 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.347 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 50.9 p30 -72.44 -168.42 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.336 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 74' ' ' PHE . . . . . 0.512 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 45.8 t80 -84.23 11.85 7.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.668 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 75' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -98.78 -94.53 0.24 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 76' ' ' GLU . . . . . 0.413 ' OE2' ' OD1' ' T' ' 65' ' ' ASP . 20.2 pt-20 -42.34 -25.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.166 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 77' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -50.38 -40.06 48.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.342 . . . . 0.0 110.508 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 78' ' ' LEU . . . . . 0.45 ' O ' HG23 ' T' ' 82' ' ' VAL . 34.1 mt -78.69 -20.96 48.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.311 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 79' ' ' VAL . . . . . 0.442 ' O ' HG12 ' T' ' 79' ' ' VAL . 45.4 t -78.77 -9.45 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.647 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 37.9 ttp -77.04 -54.58 6.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.998 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 81' ' ' MET . . . . . 0.418 ' O ' ' N ' ' T' ' 84' ' ' SER . 27.7 mtm -79.71 -53.01 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 82' ' ' VAL . . . . . 0.45 HG23 ' O ' ' T' ' 78' ' ' LEU . 82.1 t -41.55 -34.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.897 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -78.36 -39.17 40.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 84' ' ' SER . . . . . 0.418 ' N ' ' O ' ' T' ' 81' ' ' MET . 65.7 m -77.32 -20.2 55.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.549 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 39.3 mtt -80.04 -70.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.576 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -47.47 -27.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.609 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -159.33 106.31 1.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.559 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -78.39 157.75 28.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.577 179.893 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 70.0 mtp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 47.04 60.74 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' T' ' 5' ' ' TYR . 34.8 m-20 -80.37 -61.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.688 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 4' ' ' ILE . . . . . 0.65 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.01 -15.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.212 -179.766 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' T' T ' 5' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' T' ' 3' ' ' ASP . 57.4 m-85 -91.54 -56.91 2.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.835 0.35 . . . . 0.0 110.522 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -51.79 -19.45 1.68 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.51 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.96 -39.08 69.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.535 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.65 -40.24 63.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 61.3 t -51.8 -29.66 11.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.487 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -73.99 -23.87 59.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.564 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -78.24 -22.84 47.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 mt -78.32 110.53 13.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 13' ' ' THR . . . . . 0.482 ' C ' ' H ' ' T' ' 15' ' ' GLU . 5.6 m -71.46 159.51 34.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.437 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 14' ' ' GLU . . . . . 0.461 ' O ' ' ND2' ' T' ' 18' ' ' ASN . 49.7 mt-10 -67.51 7.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.716 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 15' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' T' ' 13' ' ' THR . 47.5 mt-10 -86.99 -48.91 7.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 16' ' ' GLN . . . . . 0.521 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -79.55 -14.68 58.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 -179.62 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' T' T ' 17' ' ' LYS . . . . . 0.521 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 79.8 mttt -67.61 -39.58 84.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.918 0.39 . . . . 0.0 110.297 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 18' ' ' ASN . . . . . 0.524 ' H ' HD22 ' T' ' 18' ' ' ASN . 1.9 m-80 -55.49 -28.24 53.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -66.31 -47.58 73.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 20' ' ' PHE . . . . . 0.511 ' O ' ' N ' ' T' ' 22' ' ' ALA . 56.8 m-85 -70.18 -59.5 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.538 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -41.26 -21.17 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.796 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 22' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -79.4 -40.31 30.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.396 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 23' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -54.37 -43.1 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.431 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 24' ' ' PHE . . . . . 0.5 ' CZ ' ' CD2' ' T' ' 77' ' ' PHE . 48.8 m-85 -45.5 -57.83 3.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.382 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -47.22 -51.58 18.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.685 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 11.2 mm -51.6 -48.25 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.591 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 27' ' ' PHE . . . . . 0.544 ' CE1' HG21 ' T' ' 44' ' ' VAL . 54.9 m-85 -67.21 -69.38 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.192 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 28' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' T' ' 35' ' ' SER . 9.4 m -88.26 63.84 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.466 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 29' ' ' LEU . . . . . 0.401 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -82.02 29.08 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.024 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 163.21 25.65 0.02 OUTLIER Glycine 0 CA--C 1.525 0.662 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.361 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.71 177.8 7.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.818 0.342 . . . . 0.0 110.523 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -79.36 -78.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 33' ' ' ASP . . . . . 0.489 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 12.9 p-10 -80.14 -69.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 34' ' ' GLY . . . . . 0.489 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 163.38 29.72 0.02 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 35' ' ' SER . . . . . 0.463 ' O ' ' CG1' ' T' ' 28' ' ' VAL . 94.0 p -85.75 165.63 16.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.805 0.336 . . . . 0.0 110.543 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 36' ' ' ILE . . . . . 0.503 HG22 ' N ' ' T' ' 37' ' ' SER . 67.7 mt -131.47 160.12 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 37' ' ' SER . . . . . 0.503 ' N ' HG22 ' T' ' 36' ' ' ILE . 24.6 t -159.57 176.64 11.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.62 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 38' ' ' THR . . . . . 0.42 ' N ' ' OG ' ' T' ' 37' ' ' SER . 6.8 p -59.93 -0.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 39' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' T' ' 37' ' ' SER . 91.1 mttt -83.9 -60.56 2.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.888 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -83.22 6.44 19.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.066 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.86 -71.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.397 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.98 -44.69 7.41 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -43.68 -40.23 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.701 0.286 . . . . 0.0 111.002 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 44' ' ' VAL . . . . . 0.544 HG21 ' CE1' ' T' ' 27' ' ' PHE . 87.5 t -79.95 -59.52 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.723 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 59.2 mtp -55.63 -5.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.645 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 46' ' ' ARG . . . . . 0.482 ' H ' ' C ' ' T' ' 44' ' ' VAL . 70.1 ttt180 -80.07 -52.29 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.612 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 60.2 mtm -45.02 -28.62 0.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.653 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 48' ' ' LEU . . . . . 0.578 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -70.71 -60.12 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.238 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 158.49 -12.81 0.23 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -83.67 165.87 18.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 0.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 51' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' T' ' 51' ' ' ASN . 0.7 OUTLIER -167.85 58.76 0.42 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.585 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.04 172.0 17.23 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.752 2.301 . . . . 0.0 111.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.69 153.34 80.91 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.127 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.42 -9.83 21.71 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 122.302 2.001 . . . . 0.0 111.657 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -83.09 -33.58 26.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.557 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -81.62 -30.02 33.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 57' ' ' LEU . . . . . 0.419 ' C ' ' N ' ' T' ' 59' ' ' GLU . 17.2 mt -68.71 -46.23 69.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 58' ' ' GLN . . . . . 0.423 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.9 tp-100 -46.63 -20.66 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.334 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 59' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' T' ' 57' ' ' LEU . 72.2 mt-10 -66.27 -37.36 85.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.486 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 55.2 mmm -70.51 -35.54 73.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 61' ' ' ILE . . . . . 0.735 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.9 mp -77.84 -13.6 14.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.362 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 62' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' T' ' 64' ' ' VAL . 10.5 t70 -81.29 -42.04 21.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.845 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.7 29.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.855 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 64' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' T' ' 66' ' ' GLU . 10.9 m -154.01 -34.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.457 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 65' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' T' ' 71' ' ' THR . 16.1 m-20 -61.88 73.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.417 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 66' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' T' ' 64' ' ' VAL . 34.4 mm-40 -66.83 -31.33 71.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.386 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -84.49 2.93 38.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.532 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 45.73 83.71 0.02 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.761 -0.935 . . . . 0.0 110.761 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 20.8 p -142.72 -12.47 0.77 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.73 0.3 . . . . 0.0 110.682 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.68 44.29 49.2 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 71' ' ' THR . . . . . 0.401 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 59.0 p -151.87 -168.44 3.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 0.0 110.443 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 25.1 t -147.47 73.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.543 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 41.0 p30 -60.16 -162.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.326 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 74' ' ' PHE . . . . . 0.525 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 45.7 t80 -86.6 -4.27 59.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.652 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 75' ' ' ASP . . . . . 0.481 ' C ' ' N ' ' T' ' 77' ' ' PHE . 4.7 m-20 -81.22 -88.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -46.51 -14.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.738 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 77' ' ' PHE . . . . . 0.5 ' CD2' ' CZ ' ' T' ' 24' ' ' PHE . 29.3 t80 -46.74 -53.87 10.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.493 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.64 -49.09 57.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.501 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -46.59 -21.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.682 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 50.4 ttm -70.84 -62.76 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.579 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 81' ' ' MET . . . . . 0.415 ' SD ' ' N ' ' T' ' 81' ' ' MET . 1.8 mpt? -70.59 -47.56 59.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.618 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 90.4 t -44.38 -49.32 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.762 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -68.23 -62.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 69.1 m -46.85 -31.61 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.591 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 7.3 mmt -77.93 -69.23 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.624 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -50.73 -22.88 2.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.623 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -158.13 100.71 1.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.547 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' T' T ' 88' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' T' ' 88' ' ' ASP . 1.5 p30 -78.37 125.42 29.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.542 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.577 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 41.2 mtp . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 52.31 48.65 22.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.519 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 3' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' T' ' 5' ' ' TYR . 13.5 m-20 -80.01 -53.29 6.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 4' ' ' ILE . . . . . 0.649 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.0 -15.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.762 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' T' T ' 5' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' T' ' 3' ' ' ASP . 58.1 m-85 -89.65 -39.56 13.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.864 0.364 . . . . 0.0 110.466 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 6' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' T' ' 3' ' ' ASP . 10.1 mmmt -60.64 -49.42 77.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.374 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.67 -32.05 7.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.552 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.5 67.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 18.8 t -72.37 -31.71 39.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.51 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -61.71 -24.27 66.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.582 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -77.42 -32.23 54.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 17.0 mt -72.55 125.37 27.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 13' ' ' THR . . . . . 0.479 ' C ' ' H ' ' T' ' 15' ' ' GLU . 8.8 m -78.97 157.85 28.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 14' ' ' GLU . . . . . 0.468 ' O ' ' ND2' ' T' ' 18' ' ' ASN . 59.6 mt-10 -63.58 1.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 15' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' T' ' 13' ' ' THR . 55.4 mt-10 -83.78 -59.82 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.754 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 16' ' ' GLN . . . . . 0.409 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -66.58 -11.64 54.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' T' T ' 17' ' ' LYS . . . . . 0.409 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 81.9 mttt -78.63 -28.65 45.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.815 0.341 . . . . 0.0 110.266 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 18' ' ' ASN . . . . . 0.507 HD22 ' N ' ' T' ' 18' ' ' ASN . 1.2 m-80 -77.93 -15.4 59.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.422 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -75.88 -35.36 59.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 20' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' T' ' 23' ' ' ALA . 56.0 m-85 -74.87 -58.22 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.673 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -43.92 -18.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.712 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 22' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -80.52 -36.17 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.393 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 23' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -64.75 -48.43 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.588 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -44.3 -50.03 9.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 25' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' T' ' 25' ' ' ASP . 1.0 OUTLIER -48.36 -39.13 21.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.276 179.839 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 13.8 mm -68.49 -37.48 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.408 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 27' ' ' PHE . . . . . 0.527 ' CD1' HG21 ' T' ' 44' ' ' VAL . 62.1 m-85 -72.62 -64.03 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.216 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 28' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' T' ' 35' ' ' SER . 9.7 m -90.46 62.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.543 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 29' ' ' LEU . . . . . 0.424 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -85.5 23.52 1.34 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.545 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' T' T ' 30' ' ' GLY . . . . . 0.414 ' H ' ' H ' ' T' ' 31' ' ' ALA . . . 170.88 16.3 0.02 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 31' ' ' ALA . . . . . 0.414 ' H ' ' H ' ' T' ' 30' ' ' GLY . . . -82.77 161.5 22.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.806 0.336 . . . . 0.0 110.548 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.76 -83.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 33' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' T' ' 34' ' ' GLY . 8.4 p30 -78.29 -102.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.527 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 34' ' ' GLY . . . . . 0.498 ' N ' ' OD1' ' T' ' 33' ' ' ASP . . . -157.0 30.25 0.54 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 35' ' ' SER . . . . . 0.467 ' O ' ' CG1' ' T' ' 28' ' ' VAL . 9.9 p -83.12 166.42 18.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.803 0.335 . . . . 0.0 110.506 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 41.3 mt -136.82 89.93 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.481 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 37' ' ' SER . . . . . . . . . . . . . 23.2 t -79.79 -173.34 3.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.474 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 42.8 p -72.91 -9.07 58.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.582 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 39' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -80.35 -51.47 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.674 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -79.03 -0.92 33.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.76 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 41' ' ' LEU . . . . . 0.4 ' O ' HD13 ' T' ' 41' ' ' LEU . 0.2 OUTLIER -79.36 -62.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.429 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.16 -43.5 42.05 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -42.78 -52.92 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.629 0.252 . . . . 0.0 111.022 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 44' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' T' ' 27' ' ' PHE . 93.2 t -66.25 -53.44 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.72 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 20.8 mmt -50.21 -16.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 46' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' T' ' 44' ' ' VAL . 72.2 ttt180 -57.14 -58.47 8.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 61.4 mtm -54.21 -29.75 47.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.583 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 48' ' ' LEU . . . . . 0.602 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -76.95 13.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.33 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.59 43.25 99.53 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -141.07 158.73 43.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.747 0.308 . . . . 0.0 110.239 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -172.04 63.39 0.34 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.698 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -77.88 172.46 15.59 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.747 2.298 . . . . 0.0 112.013 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.28 153.46 95.18 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.182 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.14 -6.54 18.55 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.257 1.971 . . . . 0.0 111.8 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -83.83 -32.2 25.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.642 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.89 -37.66 34.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.716 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 29.0 mt -65.68 -43.3 89.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.582 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 58' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.7 tp-100 -46.95 -25.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.33 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -58.99 -39.47 81.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.352 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 59.5 mmm -68.96 -37.69 78.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.363 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 61' ' ' ILE . . . . . 0.718 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.9 mp -73.56 -32.2 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.119 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -78.54 44.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.663 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -149.02 -50.81 0.15 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.445 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 64' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' T' ' 66' ' ' GLU . 35.1 m -78.47 -38.75 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 65' ' ' ASP . . . . . 0.441 ' N ' HG23 ' T' ' 64' ' ' VAL . 56.5 m-20 -60.09 79.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.461 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 66' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' T' ' 64' ' ' VAL . 66.4 mm-40 -73.63 45.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.303 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 67' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' T' ' 69' ' ' SER . 1.7 p30 -158.64 -22.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.88 28.32 38.44 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 69' ' ' SER . . . . . 0.511 ' N ' ' OD1' ' T' ' 67' ' ' ASP . 45.4 p -82.12 -30.49 31.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.778 0.323 . . . . 0.0 110.611 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.42 41.27 16.97 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 71' ' ' THR . . . . . 0.441 ' N ' ' OD2' ' T' ' 65' ' ' ASP . 44.6 p -153.21 126.49 8.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.791 0.329 . . . . 0.0 110.613 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 96.4 t -85.72 87.47 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 73' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' T' ' 75' ' ' ASP . 10.0 p30 -62.43 -154.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -102.19 -9.77 20.17 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.561 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 75' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' T' ' 73' ' ' ASP . 5.4 m-20 -84.5 -87.94 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 76' ' ' GLU . . . . . 0.427 ' OE2' ' OD1' ' T' ' 65' ' ' ASP . 6.2 pt-20 -44.02 -17.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 77' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' T' ' 75' ' ' ASP . 48.2 t80 -50.83 -30.55 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.352 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 78' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' T' ' 80' ' ' MET . 23.7 mt -78.38 -53.76 6.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.267 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 79' ' ' VAL . . . . . 0.416 ' O ' HG12 ' T' ' 79' ' ' VAL . 41.2 t -51.06 -11.34 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.389 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 80' ' ' MET . . . . . 0.468 ' H ' ' C ' ' T' ' 78' ' ' LEU . 26.3 ttt -69.52 -66.25 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.876 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' T' T ' 81' ' ' MET . . . . . . . . . . . . . 25.1 mtm -81.46 -40.72 22.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 93.6 t -44.21 -33.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.685 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -78.48 -49.74 12.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.528 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -63.93 -26.16 68.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.609 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 70.2 mtp -78.82 -57.41 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.601 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -52.71 -26.92 15.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -160.92 106.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -77.46 149.47 35.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.571 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 58.2 mtp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 58.38 67.18 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.493 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 3' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' T' ' 5' ' ' TYR . 57.6 m-20 -82.58 -72.76 0.43 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.718 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 4' ' ' ILE . . . . . 0.654 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -43.52 -16.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.254 -179.635 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' T' T ' 5' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' T' ' 3' ' ' ASP . 54.7 m-85 -89.67 -49.72 6.49 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.801 0.334 . . . . 0.0 110.341 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -56.61 -40.17 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.31 -39.99 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.59 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.17 -42.07 39.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.611 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 63.1 t -56.54 -25.72 21.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -74.09 -28.33 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.633 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -72.74 -21.51 61.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -78.53 112.82 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.629 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 13' ' ' THR . . . . . 0.486 ' C ' ' H ' ' T' ' 15' ' ' GLU . 6.4 m -80.95 160.43 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -63.35 2.03 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.565 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 15' ' ' GLU . . . . . 0.486 ' H ' ' C ' ' T' ' 13' ' ' THR . 38.8 mt-10 -85.33 -51.72 6.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.58 5.66 8.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.974 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -97.42 -23.96 15.84 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.499 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 18' ' ' ASN . . . . . 0.511 HD22 ' N ' ' T' ' 18' ' ' ASN . 1.3 m120 -58.03 -26.59 62.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.779 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 19' ' ' GLU . . . . . 0.488 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.3 pm0 -80.93 -48.71 11.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.334 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -60.23 -57.39 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.447 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -48.29 -25.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.454 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.46 -42.95 24.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.426 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.6 -53.91 13.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.537 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 24' ' ' PHE . . . . . 0.407 ' O ' HG22 ' T' ' 28' ' ' VAL . 71.6 m-85 -42.65 -57.68 2.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.616 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -44.13 -34.32 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 mm -71.73 -58.4 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.607 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 27' ' ' PHE . . . . . 0.497 ' CD1' HG21 ' T' ' 44' ' ' VAL . 82.2 m-85 -55.95 -17.01 5.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.688 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 28' ' ' VAL . . . . . 0.407 HG22 ' O ' ' T' ' 24' ' ' PHE . 3.9 m -150.15 73.91 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.46 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 29' ' ' LEU . . . . . 0.437 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -95.6 24.36 5.32 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.23 5.41 0.07 OUTLIER Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.62 167.66 20.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.537 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -73.51 -71.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.401 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 33' ' ' ASP . . . . . 0.494 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 3.6 p-10 -80.41 -71.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 34' ' ' GLY . . . . . 0.494 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 157.69 23.65 0.03 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 56.8 p -82.97 127.2 33.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.351 . . . . 0.0 110.609 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 36' ' ' ILE . . . . . 0.443 HG22 ' N ' ' T' ' 37' ' ' SER . 55.6 mt -86.35 158.03 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.388 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 37' ' ' SER . . . . . 0.474 ' C ' ' H ' ' T' ' 39' ' ' LYS . 7.9 t -157.32 165.48 35.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.62 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 38' ' ' THR . . . . . 0.429 ' H ' HG23 ' T' ' 38' ' ' THR . 5.3 p -54.21 -6.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.734 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 39' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' T' ' 37' ' ' SER . 91.5 mttt -81.19 -57.76 3.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.894 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -85.66 5.68 30.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.998 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 41' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' T' ' 43' ' ' LYS . 0.2 OUTLIER -76.37 -70.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.281 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.42 -12.59 0.11 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 43' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' T' ' 41' ' ' LEU . 77.5 tttt -73.71 -40.86 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.74 0.305 . . . . 0.0 110.595 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 44' ' ' VAL . . . . . 0.497 HG21 ' CD1' ' T' ' 27' ' ' PHE . 98.8 t -79.26 -44.25 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.694 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 56.6 mtp -62.9 -12.24 23.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.67 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -70.06 -36.4 74.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.5 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 41.0 mtt -57.86 -34.99 70.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.612 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 48' ' ' LEU . . . . . 0.595 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -70.08 -79.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.359 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 170.25 41.26 0.03 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -140.95 164.07 31.25 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.799 0.333 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -172.05 60.25 0.28 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.717 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -76.65 -178.84 4.8 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.834 2.356 . . . . 0.0 111.961 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 53' ' ' THR . . . . . 0.428 ' H ' HG22 ' T' ' 53' ' ' THR . 0.1 OUTLIER -78.56 153.21 78.61 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.124 179.848 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -66.84 -3.7 9.93 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.231 1.954 . . . . 0.0 111.731 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -81.24 -34.6 32.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -81.79 -39.73 23.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.704 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 66.8 mt -61.66 -40.75 96.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.479 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 58' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.5 tp-100 -47.19 -30.54 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.238 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -56.91 -32.5 65.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.516 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 56.4 mmm -78.39 -40.07 37.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.5 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 61' ' ' ILE . . . . . 0.716 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.8 mp -77.54 -8.85 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -81.63 -59.98 2.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.771 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -45.6 -42.38 11.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.804 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 64' ' ' VAL . . . . . 0.475 HG23 ' N ' ' T' ' 65' ' ' ASP . 30.0 m -74.13 -44.31 50.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.717 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 65' ' ' ASP . . . . . 0.475 ' N ' HG23 ' T' ' 64' ' ' VAL . 32.9 m-20 -65.77 82.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.517 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 66' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -64.62 -35.01 79.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.4 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 67' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' T' ' 67' ' ' ASP . 16.0 p30 -81.09 -27.0 35.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.01 33.53 23.56 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 90.7 p -80.23 -20.72 43.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 110.598 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.35 40.08 11.72 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 71' ' ' THR . . . . . 0.429 ' O ' ' OE2' ' T' ' 76' ' ' GLU . 44.1 p -153.26 129.46 10.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.809 0.338 . . . . 0.0 110.401 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 58.8 t -83.6 85.08 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.51 154.08 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.292 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 74' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' T' ' 74' ' ' PHE . 45.8 t80 -60.15 -13.73 13.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 75' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -79.51 -64.41 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 76' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' T' ' 71' ' ' THR . 20.8 pt-20 -68.83 -10.43 56.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.81 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 77' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -62.64 -55.99 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.586 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 45.7 mt -51.2 -41.04 59.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.57 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.78 -32.34 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.499 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 4.3 ttt -59.36 -34.61 72.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.633 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 81' ' ' MET . . . . . 0.561 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -80.59 -59.75 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.763 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 38.8 t -43.03 -43.05 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 83' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' T' ' 87' ' ' ASP . 79.2 mtp180 -63.8 -70.95 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.481 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 5.6 m -46.89 -30.74 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.586 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 85' ' ' MET . . . . . 0.436 ' C ' ' N ' ' T' ' 87' ' ' ASP . 12.5 mmt -78.68 -83.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.606 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -50.21 -13.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.663 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' T' T ' 87' ' ' ASP . . . . . 0.436 ' N ' ' C ' ' T' ' 85' ' ' MET . 31.9 m-20 -158.49 92.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 88' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' T' ' 88' ' ' ASP . 22.3 p-10 -79.2 116.34 19.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.489 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 61.6 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.584 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 33.4 mtp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 49.56 47.13 23.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.58 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 3' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' T' ' 5' ' ' TYR . 11.4 m-20 -80.72 -51.68 8.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.644 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 4' ' ' ILE . . . . . 0.647 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.06 -15.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.185 -179.712 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' T' T ' 5' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' T' ' 3' ' ' ASP . 58.8 m-85 -88.39 -45.99 9.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.776 0.322 . . . . 0.0 110.454 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -62.13 -23.98 66.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.47 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.48 -37.17 80.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.14 -33.87 50.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.25 -28.37 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.612 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -72.65 -22.69 60.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.564 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -78.3 -29.62 47.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.591 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -71.39 123.66 22.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.6 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 13' ' ' THR . . . . . 0.414 HG22 ' H ' ' T' ' 14' ' ' GLU . 3.3 m -74.93 -128.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.414 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 14' ' ' GLU . . . . . 0.414 ' H ' HG22 ' T' ' 13' ' ' THR . 69.6 mt-10 -132.19 -19.67 2.49 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.786 0.327 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 15' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.78 -39.19 70.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.436 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 16' ' ' GLN . . . . . 0.427 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -78.98 -13.26 59.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.469 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' T' T ' 17' ' ' LYS . . . . . 0.427 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 72.3 tttt -74.33 -48.76 26.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.602 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 18' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -59.3 -17.02 25.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.6 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -73.59 -43.04 60.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.527 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 20' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' T' ' 23' ' ' ALA . 80.6 m-85 -74.93 -55.96 5.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.512 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -44.8 -36.57 3.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.706 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.08 70.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.466 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 23' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -67.39 -49.39 64.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 24' ' ' PHE . . . . . 0.444 ' O ' HG22 ' T' ' 28' ' ' VAL . 55.9 m-85 -45.65 -53.39 9.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.467 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -43.1 -45.2 5.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.646 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 11.3 mm -63.43 -52.01 63.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.582 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 27' ' ' PHE . . . . . 0.514 ' CE1' HG21 ' T' ' 44' ' ' VAL . 66.5 m-85 -60.8 -20.74 62.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.689 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 28' ' ' VAL . . . . . 0.444 HG22 ' O ' ' T' ' 24' ' ' PHE . 4.3 m -149.92 72.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.415 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 29' ' ' LEU . . . . . 0.438 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -96.24 22.57 7.55 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.583 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -169.8 3.32 0.04 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.25 158.15 29.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.765 0.316 . . . . 0.0 110.609 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -56.29 -82.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.476 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 33' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 4.6 p-10 -78.78 -69.56 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.502 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 34' ' ' GLY . . . . . 0.479 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 159.11 30.55 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 59.8 p -80.94 118.95 22.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.815 0.34 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 36' ' ' ILE . . . . . 0.407 ' CD1' ' H6 ' ' T' ' 91' ' ' WW7 . 41.4 mt -83.86 154.74 3.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.571 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 37' ' ' SER . . . . . 0.489 ' C ' ' H ' ' T' ' 39' ' ' LYS . 23.0 t -157.42 166.75 32.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.537 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 38' ' ' THR . . . . . 0.442 ' H ' HG23 ' T' ' 38' ' ' THR . 5.3 p -51.84 -8.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.77 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 39' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' T' ' 37' ' ' SER . 83.7 mttt -78.18 -58.74 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.82 -179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -84.83 0.83 49.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.88 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 41' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' T' ' 43' ' ' LYS . 0.2 OUTLIER -73.91 -65.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.287 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -55.32 -7.63 1.36 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 43' ' ' LYS . . . . . 0.439 ' H ' ' C ' ' T' ' 41' ' ' LEU . 85.2 tttt -74.77 -42.33 58.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 0.0 110.572 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 44' ' ' VAL . . . . . 0.514 HG21 ' CE1' ' T' ' 27' ' ' PHE . 44.8 t -78.04 -44.11 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 16.5 mmt -59.31 -12.23 5.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.558 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -73.99 -42.57 60.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.586 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 69.7 mtm -60.05 -28.41 67.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.589 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 48' ' ' LEU . . . . . 0.588 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -74.47 -78.51 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.377 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 49' ' ' GLY . . . . . 0.424 ' O ' ' OE1' ' T' ' 50' ' ' GLN . . . 170.68 32.08 0.02 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 50' ' ' GLN . . . . . 0.424 ' OE1' ' O ' ' T' ' 49' ' ' GLY . 28.5 mm100 -136.83 164.46 28.24 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 110.312 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -173.29 61.94 0.27 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.646 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -77.01 -178.6 4.7 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.702 2.268 . . . . 0.0 112.044 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.32 153.14 79.24 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.22 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -67.98 -8.78 23.65 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.287 1.991 . . . . 0.0 111.777 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -80.59 -32.56 36.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.482 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -79.96 -46.81 16.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.658 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 22.9 mt -55.92 -41.87 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.678 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 58' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -45.89 -30.96 1.91 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.481 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -61.09 -33.16 72.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.559 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 56.1 mmm -75.04 -29.62 60.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.665 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 61' ' ' ILE . . . . . 0.668 ' N ' HD12 ' T' ' 61' ' ' ILE . 2.0 mp -89.99 -19.9 7.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -78.58 -19.84 51.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.186 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 63' ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' T' ' 63' ' ' GLU . 4.0 pt-20 -80.36 -36.3 34.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.88 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 64' ' ' VAL . . . . . 0.529 ' O ' ' N ' ' T' ' 66' ' ' GLU . 8.5 m -88.19 -32.96 6.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.888 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 65' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' T' ' 67' ' ' ASP . 15.6 m-20 -58.75 78.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 0.0 110.51 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 66' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' T' ' 64' ' ' VAL . 66.8 mm-40 -79.77 33.16 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.22 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 67' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' T' ' 65' ' ' ASP . 14.1 p-10 -155.84 8.09 0.24 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.564 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.63 81.6 0.03 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 75.7 p -144.37 -7.56 0.69 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.723 0.297 . . . . 0.0 110.638 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 60.01 54.18 39.56 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 44.3 p -153.06 170.99 19.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.768 0.318 . . . . 0.0 110.458 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 89.9 t -145.76 85.33 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 73' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' T' ' 75' ' ' ASP . 11.7 p30 -81.3 164.64 22.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.354 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -53.97 -6.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.786 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 75' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' T' ' 73' ' ' ASP . 63.3 m-20 -80.36 -93.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.87 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -47.67 -12.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 77' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' T' ' 75' ' ' ASP . 79.0 t80 -63.28 -58.67 6.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.548 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 46.0 mt -47.95 -43.41 29.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.398 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 46.4 t -51.46 -49.32 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.536 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 26.8 ttm -46.81 -56.62 5.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.547 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 81' ' ' MET . . . . . 0.576 ' HE2' H121 ' T' ' 91' ' ' WW7 . 0.0 OUTLIER -59.07 -58.83 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.638 -179.844 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 86.5 t -43.64 -41.47 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.851 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -64.89 -72.01 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.544 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 24.9 m -46.12 -33.89 3.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.662 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 18.8 mmt -68.26 -74.0 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.636 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -53.0 -20.37 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.664 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -160.42 103.79 1.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -78.78 148.88 32.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 77.4 p . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.574 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' T' T ' 91' ' ' WW7 . . . . . 0.576 H121 ' HE2' ' T' ' 81' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 37.3 mtp . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 50.95 52.69 14.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.581 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 3' ' ' ASP . . . . . 0.525 ' O ' ' N ' ' T' ' 5' ' ' TYR . 66.6 m-20 -79.97 -55.22 5.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.716 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 4' ' ' ILE . . . . . 0.647 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.03 -15.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 -179.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' T' T ' 5' ' ' TYR . . . . . 0.525 ' N ' ' O ' ' T' ' 3' ' ' ASP . 57.3 m-85 -89.96 -46.49 8.48 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.818 0.342 . . . . 0.0 110.467 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -57.41 -40.38 78.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.531 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.83 -31.76 63.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.615 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.51 -39.62 52.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.611 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 60.5 t -58.19 -22.95 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.566 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -78.24 -25.38 46.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.674 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -75.66 -20.58 58.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.563 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 mt -76.85 118.83 19.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 13' ' ' THR . . . . . . . . . . . . . 3.8 m -62.98 -127.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -139.44 -32.13 0.66 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.781 0.324 . . . . 0.0 110.317 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -67.45 -33.62 75.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.425 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.39 -10.33 59.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.49 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -83.07 -12.12 57.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.601 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 18' ' ' ASN . . . . . 0.554 HD22 ' N ' ' T' ' 18' ' ' ASN . 1.0 OUTLIER -67.72 -64.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.926 -179.809 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' T' T ' 19' ' ' GLU . . . . . 0.583 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.0 pm0 -40.49 -42.97 1.74 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.046 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 20' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' T' ' 23' ' ' ALA . 45.1 m-85 -62.87 -67.34 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.443 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -46.8 -36.57 7.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.412 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.0 -29.39 68.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.39 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 23' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -61.82 -53.74 51.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.408 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 24' ' ' PHE . . . . . 0.521 ' O ' ' N ' ' T' ' 27' ' ' PHE . 60.1 m-85 -44.06 -52.9 6.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -43.78 -30.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.639 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 mm -81.19 -29.69 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.574 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 27' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' T' ' 24' ' ' PHE . 76.3 m-85 -85.12 -64.54 1.14 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.443 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 31.4 m -79.52 48.25 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.71 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 29' ' ' LEU . . . . . 0.422 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -79.37 31.2 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.613 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 173.83 -18.15 0.05 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.02 137.86 57.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.753 0.311 . . . . 0.0 110.65 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.65 -87.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.522 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 33' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 3.0 p-10 -49.99 -72.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.495 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 34' ' ' GLY . . . . . 0.493 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 158.32 29.53 0.02 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 88.8 p -86.45 159.52 19.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.819 0.342 . . . . 0.0 110.706 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 36' ' ' ILE . . . . . 0.429 ' CD1' ' H6 ' ' T' ' 91' ' ' WW7 . 76.6 mt -133.56 88.97 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.486 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 37' ' ' SER . . . . . . . . . . . . . 23.2 t -82.65 -159.42 0.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.481 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 20.8 p -80.14 -1.89 42.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.64 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 39' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -83.83 -53.56 5.51 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.797 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 40' ' ' GLU . . . . . 0.4 ' OE1' HD11 ' T' ' 29' ' ' LEU . 77.7 mm-40 -79.32 1.73 24.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.785 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.57 -66.28 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.282 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -45.9 -44.59 13.48 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -44.25 -44.79 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.663 0.268 . . . . 0.0 110.847 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 44' ' ' VAL . . . . . 0.509 HG21 ' CD1' ' T' ' 27' ' ' PHE . 91.2 t -77.25 -58.38 4.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.73 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 22.3 mmt -49.3 -13.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.528 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 46' ' ' ARG . . . . . 0.464 ' N ' ' C ' ' T' ' 44' ' ' VAL . 77.7 ttt180 -75.02 -33.29 61.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.614 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 26.1 mtt -63.61 -39.54 94.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.607 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 48' ' ' LEU . . . . . 0.597 ' N ' HD12 ' T' ' 48' ' ' LEU . 8.3 mp -64.41 -77.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.343 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 49' ' ' GLY . . . . . 0.427 ' O ' ' OE1' ' T' ' 50' ' ' GLN . . . 169.17 33.8 0.02 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 50' ' ' GLN . . . . . 0.427 ' OE1' ' O ' ' T' ' 49' ' ' GLY . 28.6 mm100 -138.33 150.18 46.35 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -161.6 59.76 1.09 Allowed Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.14 -170.47 0.79 Allowed 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.744 2.296 . . . . 0.0 111.923 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.76 152.3 80.23 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.234 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.48 -6.31 18.65 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.211 1.94 . . . . 0.0 111.824 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -81.29 -38.38 26.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.606 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -78.62 -29.38 45.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.649 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.56 -31.09 69.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.478 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 58' ' ' GLN . . . . . 0.411 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.3 tp-100 -61.15 -26.44 67.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.473 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.7 -22.67 64.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.517 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 59.4 mmm -82.01 -28.3 32.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.694 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 61' ' ' ILE . . . . . 0.739 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.8 mp -90.63 -27.88 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.396 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -68.09 -21.42 64.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.308 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -79.25 -39.44 33.06 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.9 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 64' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' T' ' 66' ' ' GLU . 5.5 m -87.51 -14.83 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.758 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 65' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' T' ' 67' ' ' ASP . 48.8 m-20 -62.49 72.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.754 0.312 . . . . 0.0 110.363 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 66' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' T' ' 64' ' ' VAL . 55.5 mm-40 -77.37 22.61 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.21 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 67' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' T' ' 65' ' ' ASP . 11.0 p30 -156.29 9.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.449 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.33 84.35 0.02 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 86.6 p -149.98 -5.76 0.34 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.666 0.27 . . . . 0.0 110.662 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 53.17 51.28 47.7 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 17.7 p -151.55 121.96 7.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.735 0.303 . . . . 0.0 110.513 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 38.8 t -87.57 73.95 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 73' ' ' ASP . . . . . 0.451 ' C ' ' H ' ' T' ' 75' ' ' ASP . 3.5 p30 -66.79 162.3 21.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.399 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 74' ' ' PHE . . . . . 0.443 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 57.3 t80 -63.26 1.84 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 75' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' T' ' 73' ' ' ASP . 6.7 m-20 -89.61 -73.56 0.51 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.818 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -66.2 -8.48 24.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.923 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 77' ' ' PHE . . . . . 0.476 ' O ' ' N ' ' T' ' 80' ' ' MET . 87.5 t80 -66.57 -60.3 2.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.525 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 42.4 mt -46.72 -28.74 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.451 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.92 -30.27 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.45 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 80' ' ' MET . . . . . 0.635 ' SD ' H161 ' T' ' 91' ' ' WW7 . 31.5 ttm -54.77 -35.21 63.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.564 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' T' T ' 81' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -79.81 -58.35 3.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.629 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 56.2 t -44.14 -30.13 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.806 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -76.1 -76.65 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.59 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 48.8 m -46.39 -25.4 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.615 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 10.2 mmt -78.33 -75.03 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.619 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -57.46 -12.94 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.576 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -158.49 94.21 1.25 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.584 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -78.96 106.57 11.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.53 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 22.3 p . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.521 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' T' T ' 91' ' ' WW7 . . . . . 0.635 H161 ' SD ' ' T' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 27.4 mtt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 51.14 39.03 22.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.584 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' T' ' 5' ' ' TYR . 4.8 m-20 -79.68 -48.17 14.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.659 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 4' ' ' ILE . . . . . 0.646 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.09 -15.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.204 -179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' T' T ' 5' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' T' ' 3' ' ' ASP . 60.5 m-85 -87.57 -65.47 1.01 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.456 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -47.3 -21.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.502 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.26 -40.12 86.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.561 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.65 -15.79 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 62.3 t -76.22 -25.88 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -71.26 -19.4 62.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.545 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -78.05 -29.93 49.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 mt -72.17 119.41 16.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.534 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 13' ' ' THR . . . . . . . . . . . . . 17.8 m -80.71 156.35 26.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.532 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -70.82 61.8 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.434 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 15' ' ' GLU . . . . . 0.416 ' O ' ' OE2' ' T' ' 19' ' ' GLU . 34.2 mt-10 -152.1 -40.05 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.462 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.37 6.5 16.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.565 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -97.22 -37.88 9.91 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.468 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 18' ' ' ASN . . . . . 0.645 ' H ' HD22 ' T' ' 18' ' ' ASN . 1.3 m-80 -45.26 -28.07 0.75 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.903 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 19' ' ' GLU . . . . . 0.544 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.3 pm0 -78.45 -48.73 14.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.219 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -64.08 -52.43 59.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.425 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -55.13 -27.13 43.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.524 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.79 -29.05 58.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.452 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.79 -52.18 66.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.477 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 24' ' ' PHE . . . . . 0.405 ' O ' HG22 ' T' ' 28' ' ' VAL . 75.0 m-85 -44.22 -51.03 8.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.606 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 25' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' T' ' 25' ' ' ASP . 2.2 m-20 -46.69 -37.29 8.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.47 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 12.1 mm -71.35 -34.1 52.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.534 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 27' ' ' PHE . . . . . 0.4 ' CD1' HG21 ' T' ' 44' ' ' VAL . 67.9 m-85 -77.85 -66.12 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.285 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 28' ' ' VAL . . . . . 0.405 HG22 ' O ' ' T' ' 24' ' ' PHE . 12.4 m -81.1 56.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.581 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 29' ' ' LEU . . . . . 0.412 ' HG ' ' H ' ' T' ' 29' ' ' LEU . 0.3 OUTLIER -82.42 25.55 0.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.449 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 178.1 -17.13 0.03 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.74 130.76 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.469 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -50.48 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.666 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 33' ' ' ASP . . . . . 0.484 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 10.1 p30 -79.29 -103.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.533 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 34' ' ' GLY . . . . . 0.484 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . -165.24 81.85 0.11 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 43.3 p -145.38 114.05 6.79 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.834 0.349 . . . . 0.0 110.444 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 36' ' ' ILE . . . . . . . . . . . . . 54.2 mt -84.19 100.93 8.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.678 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 37' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' T' ' 38' ' ' THR . 41.2 t -86.52 -168.47 2.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.495 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 38' ' ' THR . . . . . 0.473 ' N ' ' OG ' ' T' ' 37' ' ' SER . 21.8 p -80.02 -5.89 56.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.644 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 39' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -82.11 -52.01 7.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.827 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -79.97 0.56 31.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -71.97 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.413 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 42' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' T' ' 46' ' ' ARG . . . -49.42 -46.52 36.35 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -43.36 -42.91 4.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.945 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 44' ' ' VAL . . . . . 0.4 HG21 ' CD1' ' T' ' 27' ' ' PHE . 92.5 t -77.45 -46.11 28.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.696 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 58.8 mtp -72.69 1.1 9.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.644 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 46' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' T' ' 42' ' ' GLY . 66.4 ttt180 -78.83 -32.44 46.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.586 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 61.0 mtm -65.7 -35.35 80.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.646 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 48' ' ' LEU . . . . . 0.578 ' N ' HD12 ' T' ' 48' ' ' LEU . 8.4 mp -62.83 -76.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.331 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 49' ' ' GLY . . . . . 0.411 ' O ' ' OE1' ' T' ' 50' ' ' GLN . . . 165.5 52.33 0.02 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.934 -0.867 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 50' ' ' GLN . . . . . 0.411 ' OE1' ' O ' ' T' ' 49' ' ' GLY . 17.7 mm100 -140.65 153.65 46.09 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 110.267 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -162.12 60.02 1.05 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.713 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -76.44 -174.91 2.3 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.835 2.357 . . . . 0.0 111.96 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 53' ' ' THR . . . . . 0.451 ' C ' ' H ' ' T' ' 55' ' ' GLU . 0.1 OUTLIER -80.71 152.13 71.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.229 179.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -71.95 32.69 0.26 Allowed 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.263 1.975 . . . . 0.0 111.822 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 55' ' ' GLU . . . . . 0.451 ' H ' ' C ' ' T' ' 53' ' ' THR . 41.1 tt0 -131.3 -27.02 2.03 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.471 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -79.01 -16.7 56.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.457 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 57' ' ' LEU . . . . . 0.436 ' C ' ' N ' ' T' ' 59' ' ' GLU . 40.8 mt -75.72 -52.41 10.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 58' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -46.16 -18.82 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.429 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 59' ' ' GLU . . . . . 0.436 ' N ' ' C ' ' T' ' 57' ' ' LEU . 30.2 mt-10 -70.81 -36.01 72.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 60' ' ' MET . . . . . 0.5 ' CE ' H161 ' T' ' 91' ' ' WW7 . 63.0 mmm -74.14 -37.55 64.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.554 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 61' ' ' ILE . . . . . 0.683 ' N ' HD12 ' T' ' 61' ' ' ILE . 2.0 mp -76.51 -19.53 14.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -69.63 -63.33 1.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.128 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -42.27 -45.86 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.262 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 64' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' T' ' 66' ' ' GLU . 31.6 m -74.28 -44.53 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.043 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 65' ' ' ASP . . . . . 0.455 ' N ' HG23 ' T' ' 64' ' ' VAL . 12.8 m-20 -58.9 79.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.379 . . . . 0.0 110.631 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 66' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' T' ' 64' ' ' VAL . 62.4 mm-40 -72.42 -25.18 61.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.147 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 67' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -87.05 -7.37 58.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.533 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 57.9 81.76 0.07 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 37.6 p -142.01 -20.0 0.72 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.658 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.99 47.67 7.48 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 71' ' ' THR . . . . . 0.431 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 76.0 p -149.66 171.25 16.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.71 0.29 . . . . 0.0 110.481 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 63.0 t -144.2 82.63 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 110.518 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 73' ' ' ASP . . . . . 0.49 ' C ' ' H ' ' T' ' 75' ' ' ASP . 15.1 p-10 -82.21 164.07 21.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.289 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -51.68 -8.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 75' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' T' ' 73' ' ' ASP . 2.0 m-20 -79.02 -90.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.88 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -51.91 -10.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.013 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 77' ' ' PHE . . . . . 0.427 ' H ' ' C ' ' T' ' 75' ' ' ASP . 74.8 t80 -64.86 -53.5 45.69 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.535 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 42.9 mt -52.02 -29.27 20.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 22.9 t -70.88 -21.23 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.509 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 80' ' ' MET . . . . . 0.8 ' SD ' H162 ' T' ' 91' ' ' WW7 . 26.7 ttm -72.77 -40.68 65.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.569 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 81' ' ' MET . . . . . 0.514 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -77.19 -56.36 4.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.505 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 97.0 t -44.73 -62.59 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.677 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -47.33 -60.28 2.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.508 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 69.6 m -51.38 -38.98 56.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.497 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 20.8 mmt -72.16 -71.22 0.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.556 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 35.7 tttm -50.59 -18.95 0.77 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.639 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -158.98 99.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.632 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' T' T ' 88' ' ' ASP . . . . . 0.414 ' N ' ' OD1' ' T' ' 88' ' ' ASP . 27.9 p30 -79.37 129.96 34.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.585 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.563 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' T' T ' 91' ' ' WW7 . . . . . 0.8 H162 ' SD ' ' T' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 1' ' ' MET . . . . . 0.416 ' O ' ' OD1' ' T' ' 3' ' ' ASP . 52.6 mtp . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 48.91 36.99 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 3' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' T' ' 5' ' ' TYR . 8.6 m-20 -78.92 -47.52 16.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.678 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 4' ' ' ILE . . . . . 0.644 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.17 -15.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 -179.732 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' T' T ' 5' ' ' TYR . . . . . 0.515 ' N ' ' O ' ' T' ' 3' ' ' ASP . 60.6 m-85 -86.98 -49.37 7.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.505 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -53.35 -42.18 66.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.58 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -46.38 -37.39 7.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.519 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.65 -30.37 59.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.592 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 42.0 t -65.52 -13.67 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.576 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -79.29 -28.0 42.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.506 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -77.02 -23.84 52.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.562 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 12' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' T' ' 13' ' ' THR . 12.7 mt -77.6 113.6 15.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 13' ' ' THR . . . . . 0.423 ' O ' ' O ' ' T' ' 12' ' ' LEU . 3.5 m -60.55 -128.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.397 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 14' ' ' GLU . . . . . 0.41 ' H ' HG22 ' T' ' 13' ' ' THR . 44.0 mt-10 -137.3 -14.63 1.5 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.847 0.356 . . . . 0.0 110.266 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 15' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -79.85 -28.7 40.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.395 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -10.26 59.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.503 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -77.73 -46.87 20.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.372 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 18' ' ' ASN . . . . . 0.746 ' H ' HD22 ' T' ' 18' ' ' ASN . 1.1 m-80 -54.39 -31.48 54.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.582 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -59.63 -45.6 91.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 20' ' ' PHE . . . . . 0.427 ' O ' ' N ' ' T' ' 23' ' ' ALA . 78.5 m-85 -73.54 -57.09 4.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.567 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -45.08 -30.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.735 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.91 -32.94 74.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.486 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 23' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -67.09 -48.73 67.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.609 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 24' ' ' PHE . . . . . 0.404 ' O ' HG22 ' T' ' 28' ' ' VAL . 52.5 m-85 -45.27 -51.32 11.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.45 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -47.06 -33.63 5.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.449 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 13.5 mm -74.33 -39.93 49.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.561 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 27' ' ' PHE . . . . . 0.472 ' CD1' HG21 ' T' ' 44' ' ' VAL . 68.6 m-85 -70.5 -63.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.276 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 28' ' ' VAL . . . . . 0.404 HG22 ' O ' ' T' ' 24' ' ' PHE . 15.8 m -86.94 57.39 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.631 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 29' ' ' LEU . . . . . 0.412 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -77.23 10.99 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.698 -179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 176.53 22.3 0.03 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.32 150.7 31.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.327 . . . . 0.0 110.589 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -53.24 -83.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.521 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 33' ' ' ASP . . . . . 0.489 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 5.4 p-10 -77.11 -67.76 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.555 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 34' ' ' GLY . . . . . 0.489 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 165.31 28.16 0.02 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 64.3 p -86.28 168.88 13.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.509 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 36' ' ' ILE . . . . . 0.451 ' CD1' ' H6 ' ' T' ' 91' ' ' WW7 . 64.6 mt -132.21 154.61 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.318 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 37' ' ' SER . . . . . 0.498 ' O ' ' N ' ' T' ' 39' ' ' LYS . 8.6 t -159.92 169.91 22.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 38' ' ' THR . . . . . 0.427 HG23 ' H ' ' T' ' 38' ' ' THR . 4.9 p -45.89 -14.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 39' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' T' ' 37' ' ' SER . 88.2 mttt -74.49 -57.81 3.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.791 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -88.72 4.4 47.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -69.64 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.343 . . . . 0.0 110.435 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 42' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' T' ' 45' ' ' MET . . . -52.68 -44.82 60.44 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -43.31 -37.28 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.642 0.258 . . . . 0.0 111.01 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 44' ' ' VAL . . . . . 0.472 HG21 ' CD1' ' T' ' 27' ' ' PHE . 92.8 t -79.95 -32.12 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.644 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 45' ' ' MET . . . . . 0.403 ' N ' ' O ' ' T' ' 42' ' ' GLY . 1.2 mmt -74.35 -2.53 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.604 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -78.2 -47.25 18.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.552 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 54.6 mtm -47.15 -52.13 16.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.604 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 48' ' ' LEU . . . . . 0.59 ' N ' HD12 ' T' ' 48' ' ' LEU . 9.9 mp -54.79 -83.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.296 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 49' ' ' GLY . . . . . 0.422 ' O ' ' OE1' ' T' ' 50' ' ' GLN . . . 170.48 41.04 0.03 OUTLIER Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 50' ' ' GLN . . . . . 0.422 ' OE1' ' O ' ' T' ' 49' ' ' GLY . 18.1 mm100 -136.72 160.12 39.78 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.832 0.349 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -171.9 62.18 0.33 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.625 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -77.27 177.41 8.9 Favored 'Trans proline' 0 C--N 1.308 -1.582 0 C-N-CA 122.678 2.252 . . . . 0.0 112.039 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 53' ' ' THR . . . . . 0.419 HG22 ' H ' ' T' ' 53' ' ' THR . 0.1 OUTLIER -72.12 153.04 92.65 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.173 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.74 -7.71 21.3 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.311 2.007 . . . . 0.0 111.765 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 67.7 tt0 -78.81 -37.61 40.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.46 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -79.7 -28.04 40.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.577 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 57' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' T' ' 59' ' ' GLU . 17.5 mt -73.21 -52.23 14.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.5 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 58' ' ' GLN . . . . . 0.432 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 8.1 tp-100 -43.49 -18.73 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.56 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 59' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' T' ' 57' ' ' LEU . 76.5 mt-10 -60.86 -65.23 0.72 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.463 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 62.5 mmm -45.75 -32.91 2.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.612 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 61' ' ' ILE . . . . . 0.672 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.9 mp -76.87 -62.39 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -46.21 -14.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 63' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' T' ' 61' ' ' ILE . 72.3 mt-10 -81.53 -91.44 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 64' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' T' ' 66' ' ' GLU . 31.1 m -43.81 -20.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 65' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' T' ' 67' ' ' ASP . 12.4 m-20 -59.0 82.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.377 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 66' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' T' ' 64' ' ' VAL . 50.9 mm-40 -76.51 28.16 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.262 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 67' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' T' ' 65' ' ' ASP . 9.4 p30 -156.48 10.74 0.25 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.461 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.41 30.7 2.12 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 95.1 p -77.94 -15.91 58.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.331 . . . . 0.0 110.663 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.57 42.83 79.51 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 52.5 p -152.33 -171.47 3.94 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.808 0.337 . . . . 0.0 110.541 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 89.2 t -149.45 87.71 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.442 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 32.8 p30 -73.79 -162.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.384 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 74' ' ' PHE . . . . . 0.404 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 47.6 t80 -88.5 6.31 38.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.761 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 75' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' T' ' 77' ' ' PHE . 16.7 m-20 -95.29 -88.23 0.26 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.993 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -46.32 -13.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.069 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 77' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' T' ' 75' ' ' ASP . 70.3 t80 -65.91 -66.21 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 110.449 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 78' ' ' LEU . . . . . 0.402 ' O ' HG23 ' T' ' 82' ' ' VAL . 34.8 mt -46.7 -21.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.472 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 5.2 t -77.76 -34.31 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.561 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 80' ' ' MET . . . . . 0.765 ' SD ' H151 ' T' ' 91' ' ' WW7 . 27.7 ttm -62.09 -33.88 75.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.644 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 81' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -79.23 -60.31 2.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.727 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' T' T ' 82' ' ' VAL . . . . . 0.402 HG23 ' O ' ' T' ' 78' ' ' LEU . 96.2 t -44.79 -50.62 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.682 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -59.15 -66.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.497 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 59.6 m -48.37 -34.54 10.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.687 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 63.8 mtt -77.9 -72.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.609 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -47.1 -23.0 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.558 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -160.58 97.9 1.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.524 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 40.9 p-10 -77.94 142.84 38.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.509 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 C--O 1.219 -0.537 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.52 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' T' T ' 91' ' ' WW7 . . . . . 0.765 H151 ' SD ' ' T' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 70.3 mtp . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 48.15 61.66 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.47 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 3' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' T' ' 5' ' ' TYR . 62.1 m-20 -81.2 -61.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.753 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 4' ' ' ILE . . . . . 0.638 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -43.85 -15.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.225 -179.665 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' T' T ' 5' ' ' TYR . . . . . 0.52 ' N ' ' O ' ' T' ' 3' ' ' ASP . 56.0 m-85 -90.56 -46.85 8.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.744 0.306 . . . . 0.0 110.449 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -68.8 -23.16 64.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.53 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.35 -31.9 72.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.611 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.36 -40.17 37.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.495 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 88.5 t -51.5 -25.78 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.57 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -75.47 -26.05 57.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.624 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -77.49 -26.83 51.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 mt -72.47 119.23 16.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.63 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 13' ' ' THR . . . . . 0.478 ' C ' ' H ' ' T' ' 15' ' ' GLU . 6.2 m -77.38 160.04 29.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 14' ' ' GLU . . . . . 0.516 ' O ' ' ND2' ' T' ' 18' ' ' ASN . 71.5 mt-10 -65.05 4.12 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.591 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 15' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' T' ' 13' ' ' THR . 41.1 mt-10 -85.47 -52.92 5.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.812 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 16' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -74.82 -11.15 60.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.906 -179.707 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' T' T ' 17' ' ' LYS . . . . . 0.41 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 85.5 mttt -78.47 -43.12 27.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.35 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 18' ' ' ASN . . . . . 0.644 HD22 ' N ' ' T' ' 18' ' ' ASN . 0.8 OUTLIER -60.42 -19.69 57.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.504 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -74.73 -40.48 61.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.557 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 20' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' T' ' 23' ' ' ALA . 62.7 m-85 -74.97 -54.48 7.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.526 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -46.51 -22.31 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.419 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 22' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' T' ' 20' ' ' PHE . . . -77.08 -34.48 56.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.335 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 23' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -61.79 -52.21 65.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.396 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -43.23 -51.28 6.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.631 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 25' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' T' ' 25' ' ' ASP . 0.8 OUTLIER -47.5 -41.12 20.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.518 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 mm -64.45 -34.72 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.622 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 27' ' ' PHE . . . . . 0.557 ' CD1' HG21 ' T' ' 44' ' ' VAL . 70.0 m-85 -77.03 -70.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.34 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 28' ' ' VAL . . . . . 0.436 ' H ' HG22 ' T' ' 28' ' ' VAL . 15.9 m -81.93 56.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.571 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 29' ' ' LEU . . . . . 0.422 HD12 ' N ' ' T' ' 30' ' ' GLY . 0.3 OUTLIER -80.94 9.05 7.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.578 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' T' T ' 30' ' ' GLY . . . . . 0.422 ' N ' HD12 ' T' ' 29' ' ' LEU . . . -168.93 25.97 0.12 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.56 159.57 28.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.754 0.311 . . . . 0.0 110.582 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -78.97 -70.65 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 33' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' T' ' 33' ' ' ASP . 8.9 p30 -80.07 -74.84 0.28 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.53 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 34' ' ' GLY . . . . . 0.484 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 158.89 74.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 11.1 p -155.41 134.03 11.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.816 0.341 . . . . 0.0 110.603 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 36' ' ' ILE . . . . . 0.526 HG22 ' N ' ' T' ' 37' ' ' SER . 69.2 mt -78.63 160.57 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.661 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 37' ' ' SER . . . . . 0.526 ' N ' HG22 ' T' ' 36' ' ' ILE . 17.1 t -164.16 162.04 22.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.654 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 38' ' ' THR . . . . . 0.413 ' H ' HG23 ' T' ' 38' ' ' THR . 4.7 p -47.8 -14.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.697 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 39' ' ' LYS . . . . . 0.463 ' N ' ' C ' ' T' ' 37' ' ' SER . 94.3 mttt -78.32 -53.04 7.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -86.27 -5.47 59.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.565 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.52 -66.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.428 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.56 -38.96 5.63 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -45.75 -68.39 0.2 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.827 0.346 . . . . 0.0 110.84 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 44' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' T' ' 27' ' ' PHE . 92.8 t -50.28 -46.23 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.927 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 45' ' ' MET . . . . . 0.451 ' CE ' ' H3 ' ' T' ' 91' ' ' WW7 . 18.9 mmt -54.95 -16.23 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.767 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -64.95 -53.8 40.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.557 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 53.7 mtm -46.98 -35.57 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.564 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 48' ' ' LEU . . . . . 0.596 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -69.62 -80.6 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 164.97 36.78 0.02 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -141.11 154.23 45.81 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.842 0.354 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -166.0 60.42 0.63 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.641 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.95 -173.95 1.87 Allowed 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.695 2.264 . . . . 0.0 111.994 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 53' ' ' THR . . . . . 0.43 HG22 ' H ' ' T' ' 53' ' ' THR . 0.1 OUTLIER -77.6 152.96 81.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.21 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.33 -5.24 14.51 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 122.241 1.96 . . . . 0.0 111.748 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -80.06 -33.12 39.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.53 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -80.19 -52.13 8.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.595 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 20.8 mt -52.19 -43.89 64.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.627 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 58' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' T' ' 62' ' ' ASP . 7.2 tp-100 -43.47 -35.74 1.74 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.567 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -50.96 -49.95 59.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.297 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 48.9 mmm -58.79 -41.31 86.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.335 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 61' ' ' ILE . . . . . 0.708 ' N ' HD12 ' T' ' 61' ' ' ILE . 2.1 mp -80.86 -13.91 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.489 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 62' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' T' ' 58' ' ' GLN . 27.1 t70 -71.56 -72.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.361 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -39.33 -42.6 1.06 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.665 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 64' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' T' ' 66' ' ' GLU . 25.0 m -74.35 -45.0 47.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.239 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 65' ' ' ASP . . . . . 0.447 ' N ' HG23 ' T' ' 64' ' ' VAL . 12.7 m-20 -59.78 78.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.468 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 66' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' T' ' 64' ' ' VAL . 67.5 mm-40 -71.55 -30.43 65.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.305 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 67' ' ' ASP . . . . . 0.418 ' N ' ' OD1' ' T' ' 67' ' ' ASP . 14.5 p30 -79.91 -19.41 48.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.462 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.31 33.25 49.41 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 57.4 p -82.65 -24.19 33.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.71 0.29 . . . . 0.0 110.533 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 80.67 35.19 26.07 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 71' ' ' THR . . . . . 0.416 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 80.6 p -149.76 -179.53 7.19 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.835 0.35 . . . . 0.0 110.712 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 90.6 t -134.94 88.58 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.344 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 73' ' ' ASP . . . . . 0.505 ' C ' ' H ' ' T' ' 75' ' ' ASP . 37.0 p30 -83.22 164.76 19.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.506 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -55.11 -4.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 75' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' T' ' 73' ' ' ASP . 1.0 OUTLIER -82.24 -82.76 0.13 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.971 -179.786 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' T' T ' 76' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' T' ' 65' ' ' ASP . 19.4 pt-20 -63.41 2.35 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.988 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 77' ' ' PHE . . . . . 0.471 ' H ' ' C ' ' T' ' 75' ' ' ASP . 49.8 t80 -75.33 -44.47 45.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.356 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 78' ' ' LEU . . . . . 0.446 ' O ' ' CG2' ' T' ' 82' ' ' VAL . 39.6 mt -72.29 11.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.433 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 79' ' ' VAL . . . . . 0.434 ' H ' ' C ' ' T' ' 77' ' ' PHE . 64.7 t -105.99 -42.4 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.639 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 80' ' ' MET . . . . . 0.583 ' SD ' H152 ' T' ' 91' ' ' WW7 . 15.4 ttm -61.83 -41.95 98.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.883 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 81' ' ' MET . . . . . 0.551 ' HE2' H131 ' T' ' 91' ' ' WW7 . 9.8 mtt -78.89 -62.08 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.981 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 82' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' T' ' 78' ' ' LEU . 85.3 t -41.47 -38.84 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.965 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -75.88 -58.94 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.512 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 61.4 m -52.12 -27.35 13.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.545 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 11.7 mmt -72.3 -74.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.551 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -45.88 -25.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -159.23 112.71 2.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.508 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -78.32 112.81 15.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.581 179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' T' T ' 91' ' ' WW7 . . . . . 0.583 H152 ' SD ' ' T' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 56.4 mtp . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 47.29 37.72 6.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.527 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 3' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' T' ' 5' ' ' TYR . 29.3 m-20 -79.67 -47.46 15.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.682 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 4' ' ' ILE . . . . . 0.637 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.15 -15.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 -179.723 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' T' T ' 5' ' ' TYR . . . . . 0.522 ' N ' ' O ' ' T' ' 3' ' ' ASP . 64.5 m-85 -88.66 -49.94 6.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.838 0.352 . . . . 0.0 110.499 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -46.58 -29.5 1.85 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.548 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.13 -41.17 96.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.657 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.97 -14.2 58.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.717 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 90.0 t -77.56 -44.38 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.66 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -60.7 -18.73 56.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.617 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -78.47 -22.99 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 mt -79.82 121.76 25.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.601 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 13' ' ' THR . . . . . 0.479 ' C ' ' H ' ' T' ' 15' ' ' GLU . 28.7 m -75.97 158.67 31.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.428 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 14' ' ' GLU . . . . . 0.457 ' N ' HG22 ' T' ' 13' ' ' THR . 31.3 mt-10 -66.31 5.86 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.64 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 15' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' T' ' 13' ' ' THR . 35.7 mt-10 -88.03 -54.67 4.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.929 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 16' ' ' GLN . . . . . 0.487 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -71.15 -11.25 60.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.086 -179.521 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' T' T ' 17' ' ' LYS . . . . . 0.487 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 79.9 mttt -74.16 -36.81 64.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.441 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 18' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' T' ' 14' ' ' GLU . 1.7 m-80 -70.28 -18.94 63.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.566 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -71.36 -37.27 71.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.655 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 20' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' T' ' 23' ' ' ALA . 72.4 m-85 -76.95 -58.39 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.662 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -43.98 -21.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.655 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 22' ' ' ALA . . . . . 0.428 ' N ' ' C ' ' T' ' 20' ' ' PHE . . . -75.52 -36.44 60.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.366 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 23' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -67.68 -41.09 84.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.397 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -50.24 -56.92 9.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.22 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -41.95 -32.3 0.42 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 11.0 mm -74.89 -53.93 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.67 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 27' ' ' PHE . . . . . 0.512 ' CD1' HG21 ' T' ' 44' ' ' VAL . 71.8 m-85 -56.46 -13.94 2.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 28' ' ' VAL . . . . . . . . . . . . . 6.9 m -149.6 56.66 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.443 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 pp -82.08 18.52 1.34 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -162.62 -28.15 0.02 OUTLIER Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.62 140.62 34.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.348 . . . . 0.0 110.627 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -48.07 -91.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.538 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 33' ' ' ASP . . . . . 0.477 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 10.5 p30 -55.54 -102.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.53 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 34' ' ' GLY . . . . . 0.477 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . -176.5 23.04 0.05 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 62.5 p -80.47 125.7 30.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.491 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 36' ' ' ILE . . . . . 0.478 ' CD1' ' H6 ' ' T' ' 91' ' ' WW7 . 40.9 mt -88.62 152.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.686 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 37' ' ' SER . . . . . 0.476 ' C ' ' H ' ' T' ' 39' ' ' LYS . 10.5 t -156.98 165.25 36.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.505 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 34.7 p -50.24 -10.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.798 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 39' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' T' ' 37' ' ' SER . 89.8 mttt -77.6 -56.47 4.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.667 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -86.52 -3.2 58.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.772 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.32 -64.3 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.392 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.83 -39.31 4.82 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 43' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' T' ' 46' ' ' ARG . 91.1 mttt -46.74 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.76 0.314 . . . . 0.0 110.709 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 44' ' ' VAL . . . . . 0.512 HG21 ' CD1' ' T' ' 27' ' ' PHE . 86.4 t -43.91 -40.78 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 19.5 mmt -67.57 -27.59 67.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.563 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 46' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' T' ' 43' ' ' LYS . 70.1 ttt180 -48.84 -35.62 15.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.489 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 68.6 mtm -67.69 -40.87 84.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 48' ' ' LEU . . . . . 0.586 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -70.11 -2.4 12.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.12 46.39 9.3 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -142.17 150.04 40.54 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.875 0.369 . . . . 0.0 110.259 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -171.11 58.98 0.28 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.587 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.06 -174.7 2.04 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 122.772 2.315 . . . . 0.0 111.863 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.61 153.28 95.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.053 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.28 -4.97 15.45 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.292 1.994 . . . . 0.0 111.767 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -81.5 -30.76 33.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -79.2 -34.5 42.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.702 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 42.3 mt -70.82 -48.59 53.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.669 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 58' ' ' GLN . . . . . 0.423 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.4 tp-100 -45.25 -34.02 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.574 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -56.64 -33.67 66.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.427 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 49.0 mmm -76.55 -36.93 57.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.561 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 61' ' ' ILE . . . . . 0.666 ' N ' HD12 ' T' ' 61' ' ' ILE . 2.1 mp -81.96 -12.41 12.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.222 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -78.66 -50.63 11.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.975 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -52.09 -41.91 62.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.874 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 64' ' ' VAL . . . . . 0.53 HG23 ' N ' ' T' ' 65' ' ' ASP . 31.6 m -77.2 -45.68 29.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.914 -0.315 . . . . 0.0 110.773 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 65' ' ' ASP . . . . . 0.53 ' N ' HG23 ' T' ' 64' ' ' VAL . 27.0 m-20 -59.29 80.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.446 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 66' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' T' ' 64' ' ' VAL . 10.5 mm-40 -63.4 -33.14 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.351 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 67' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' T' ' 67' ' ' ASP . 23.0 p-10 -82.34 -23.47 35.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.483 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.9 33.3 42.03 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 19.0 p -79.87 -24.61 41.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 110.631 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 82.15 38.28 13.48 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 71' ' ' THR . . . . . . . . . . . . . 54.6 p -152.49 126.1 8.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.785 0.326 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 97.3 t -83.7 88.66 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 73' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' T' ' 75' ' ' ASP . 5.6 p30 -71.45 174.33 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.234 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 74' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 60.2 t80 -77.72 5.1 10.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.663 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 75' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' T' ' 73' ' ' ASP . 6.0 m-20 -95.74 -72.16 0.64 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.819 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -62.4 -3.81 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.972 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 77' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -70.72 -57.68 4.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.358 . . . . 0.0 110.351 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 78' ' ' LEU . . . . . 0.411 ' O ' HG23 ' T' ' 82' ' ' VAL . 31.1 mt -52.51 -20.08 2.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.374 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 56.8 t -79.84 -23.51 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.516 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 80' ' ' MET . . . . . 0.72 ' SD ' H151 ' T' ' 91' ' ' WW7 . 26.8 ttm -72.5 -39.56 67.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.634 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 81' ' ' MET . . . . . 0.548 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -76.32 -59.6 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.657 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' T' T ' 82' ' ' VAL . . . . . 0.411 HG23 ' O ' ' T' ' 78' ' ' LEU . 99.2 t -44.66 -45.16 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.759 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 78.6 mtp180 -70.63 -60.52 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.552 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 42.3 m -46.29 -41.37 13.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.592 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 64.8 mtt -67.06 -74.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.643 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -61.45 -70.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.576 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -73.01 63.73 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.565 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -66.36 130.49 43.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 20.8 p . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.61 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' T' T ' 91' ' ' WW7 . . . . . 0.72 H151 ' SD ' ' T' ' 80' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 50.8 mtp . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 52.75 43.36 31.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 3' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' T' ' 5' ' ' TYR . 24.3 m-20 -79.71 -50.95 9.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.586 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 4' ' ' ILE . . . . . 0.631 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.0 -15.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.187 -179.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' T' T ' 5' ' ' TYR . . . . . 0.526 ' N ' ' O ' ' T' ' 3' ' ' ASP . 58.8 m-85 -89.26 -58.3 2.58 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.828 0.347 . . . . 0.0 110.431 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -52.62 -36.62 56.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.495 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.94 -35.47 45.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.545 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.45 -34.21 67.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.543 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.28 -20.92 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.499 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -75.93 -21.9 56.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.508 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -74.94 -24.26 58.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.498 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 12.2 mt -75.16 122.67 23.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.54 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 13' ' ' THR . . . . . . . . . . . . . 9.9 m -78.82 157.62 28.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.506 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -71.12 60.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.543 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 15' ' ' GLU . . . . . 0.424 ' O ' ' OE2' ' T' ' 19' ' ' GLU . 57.1 mt-10 -151.77 -45.78 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.413 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.05 9.4 5.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.564 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -97.78 -39.34 9.08 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.524 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 18' ' ' ASN . . . . . 0.654 ' H ' HD22 ' T' ' 18' ' ' ASN . 1.2 m-80 -44.96 -25.91 0.36 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 19' ' ' GLU . . . . . 0.589 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.3 pm0 -80.88 -51.5 8.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.437 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -59.88 -34.02 72.61 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.381 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -77.47 -28.86 52.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.466 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.24 -6.8 57.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.425 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.06 -56.07 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.51 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 24' ' ' PHE . . . . . 0.404 ' O ' HG22 ' T' ' 28' ' ' VAL . 79.7 m-85 -45.6 -49.47 14.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.545 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.59 -42.92 7.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.778 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 14.7 mm -59.79 -64.42 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.627 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 27' ' ' PHE . . . . . 0.511 ' CE1' HG21 ' T' ' 44' ' ' VAL . 97.6 m-85 -45.58 -68.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.593 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 28' ' ' VAL . . . . . 0.404 HG22 ' O ' ' T' ' 24' ' ' PHE . 13.7 m -83.56 49.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.608 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 29' ' ' LEU . . . . . 0.616 ' C ' HD12 ' T' ' 29' ' ' LEU . 2.0 pp -69.55 -0.96 7.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.022 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 30' ' ' GLY . . . . . 0.601 ' N ' HD12 ' T' ' 29' ' ' LEU . . . -174.43 25.0 0.07 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.76 154.03 34.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.44 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -46.9 -87.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 33' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' T' ' 34' ' ' GLY . 8.5 p30 -81.34 -102.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.56 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 34' ' ' GLY . . . . . 0.508 ' N ' ' OD1' ' T' ' 33' ' ' ASP . . . -164.08 78.22 0.14 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 90.5 p -154.11 126.09 7.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.841 0.353 . . . . 0.0 110.496 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 36' ' ' ILE . . . . . 0.458 HG22 ' N ' ' T' ' 37' ' ' SER . 62.7 mt -78.47 157.37 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.523 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 37' ' ' SER . . . . . 0.458 ' N ' HG22 ' T' ' 36' ' ' ILE . 11.7 t -160.06 162.43 34.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.59 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 38' ' ' THR . . . . . 0.416 ' H ' HG23 ' T' ' 38' ' ' THR . 30.8 p -46.64 -16.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.612 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 39' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' T' ' 37' ' ' SER . 93.2 mttt -76.12 -55.02 5.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.619 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -84.15 -7.19 59.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.626 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.76 -70.2 0.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.24 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.23 -37.2 10.88 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -47.18 -43.34 21.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 110.655 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 44' ' ' VAL . . . . . 0.511 HG21 ' CE1' ' T' ' 27' ' ' PHE . 98.9 t -76.31 -53.73 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.592 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 56.4 mtp -57.74 -9.26 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.612 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -64.84 -45.83 84.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.616 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 48.9 mtt -51.57 -34.24 35.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.447 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 48' ' ' LEU . . . . . 0.584 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -78.99 10.4 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.358 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.55 -5.33 30.07 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -81.76 133.92 35.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.764 0.316 . . . . 0.0 110.561 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 51' ' ' ASN . . . . . 0.533 ' C ' HD22 ' T' ' 51' ' ' ASN . 0.1 OUTLIER -161.16 59.58 1.12 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.6 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.44 -170.3 0.79 Allowed 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.785 2.323 . . . . 0.0 111.865 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 53' ' ' THR . . . . . 0.42 ' CG2' ' OE2' ' T' ' 56' ' ' GLU . 0.1 OUTLIER -72.81 152.55 91.21 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.084 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -69.74 -6.35 18.37 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.221 1.947 . . . . 0.0 111.696 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 61.7 tt0 -81.5 -29.98 33.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.487 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 56' ' ' GLU . . . . . 0.42 ' OE2' ' CG2' ' T' ' 53' ' ' THR . 43.5 mt-10 -77.89 -40.45 39.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.65 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 36.3 mt -64.29 -48.89 73.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.565 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 58' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' T' ' 62' ' ' ASP . 7.6 tp-100 -45.5 -30.65 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.628 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.63 -34.67 71.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.481 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 59.4 mmm -75.03 -39.37 61.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.58 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 61' ' ' ILE . . . . . 0.717 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.9 mp -79.59 -24.66 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.431 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 62' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' T' ' 58' ' ' GLN . 14.3 t70 -62.05 -61.9 2.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.86 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -47.36 -70.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 64' ' ' VAL . . . . . 0.522 HG23 ' N ' ' T' ' 65' ' ' ASP . 31.7 m -43.98 -43.87 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 65' ' ' ASP . . . . . 0.522 ' N ' HG23 ' T' ' 64' ' ' VAL . 26.7 m-20 -62.39 73.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.489 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 66' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' T' ' 64' ' ' VAL . 67.6 mm-40 -80.59 37.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.454 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 67' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -158.39 17.78 0.22 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.612 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 44.42 90.21 0.01 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 54.7 p -150.0 -29.88 0.22 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.799 0.333 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 70' ' ' GLY . . . . . 0.401 ' CA ' ' OD2' ' T' ' 65' ' ' ASP . . . 79.32 3.76 88.71 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 71' ' ' THR . . . . . 0.422 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 31.0 p -107.37 172.63 6.72 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.872 0.368 . . . . 0.0 110.476 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 96.0 t -139.68 88.31 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.347 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 50.9 p30 -72.44 -168.42 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.336 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 74' ' ' PHE . . . . . 0.512 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 45.8 t80 -84.23 11.85 7.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.668 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 75' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -98.78 -94.53 0.24 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 76' ' ' GLU . . . . . 0.413 ' OE2' ' OD1' ' T' ' 65' ' ' ASP . 20.2 pt-20 -42.34 -25.27 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.166 -179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 77' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -50.38 -40.06 48.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.342 . . . . 0.0 110.508 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 78' ' ' LEU . . . . . 0.45 ' O ' HG23 ' T' ' 82' ' ' VAL . 34.1 mt -78.69 -20.96 48.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.311 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 79' ' ' VAL . . . . . 0.442 ' O ' HG12 ' T' ' 79' ' ' VAL . 45.4 t -78.77 -9.45 12.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.647 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 80' ' ' MET . . . . . 0.734 ' CE ' H162 ' T' ' 91' ' ' WW7 . 37.9 ttp -77.04 -54.58 6.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.998 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 81' ' ' MET . . . . . 0.748 ' SD ' H122 ' T' ' 91' ' ' WW7 . 27.7 mtm -79.71 -53.01 7.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 82' ' ' VAL . . . . . 0.45 HG23 ' O ' ' T' ' 78' ' ' LEU . 82.1 t -41.55 -34.51 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.897 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -78.36 -39.17 40.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 84' ' ' SER . . . . . 0.418 ' N ' ' O ' ' T' ' 81' ' ' MET . 65.7 m -77.32 -20.2 55.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.549 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 39.3 mtt -80.04 -70.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.576 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -47.47 -27.75 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.609 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -159.33 106.31 1.74 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.559 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -78.39 157.75 28.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.577 179.893 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' T' T ' 91' ' ' WW7 . . . . . 0.748 H122 ' SD ' ' T' ' 81' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 70.0 mtp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 47.04 60.74 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.536 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 3' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' T' ' 5' ' ' TYR . 34.8 m-20 -80.37 -61.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.688 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 4' ' ' ILE . . . . . 0.65 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.01 -15.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.212 -179.766 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' T' T ' 5' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' T' ' 3' ' ' ASP . 57.4 m-85 -91.54 -56.91 2.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.835 0.35 . . . . 0.0 110.522 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -51.79 -19.45 1.68 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.51 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.96 -39.08 69.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.535 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.65 -40.24 63.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.536 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 61.3 t -51.8 -29.66 11.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.487 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -73.99 -23.87 59.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.564 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -78.24 -22.84 47.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 mt -78.32 110.53 13.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 13' ' ' THR . . . . . 0.482 ' C ' ' H ' ' T' ' 15' ' ' GLU . 5.6 m -71.46 159.51 34.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.437 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 14' ' ' GLU . . . . . 0.461 ' O ' ' ND2' ' T' ' 18' ' ' ASN . 49.7 mt-10 -67.51 7.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.716 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 15' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' T' ' 13' ' ' THR . 47.5 mt-10 -86.99 -48.91 7.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 16' ' ' GLN . . . . . 0.521 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -79.55 -14.68 58.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.933 -179.62 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' T' T ' 17' ' ' LYS . . . . . 0.521 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 79.8 mttt -67.61 -39.58 84.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.918 0.39 . . . . 0.0 110.297 179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 18' ' ' ASN . . . . . 0.524 ' H ' HD22 ' T' ' 18' ' ' ASN . 1.9 m-80 -55.49 -28.24 53.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -66.31 -47.58 73.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.565 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 20' ' ' PHE . . . . . 0.511 ' O ' ' N ' ' T' ' 22' ' ' ALA . 56.8 m-85 -70.18 -59.5 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.538 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -41.26 -21.17 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.796 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 22' ' ' ALA . . . . . 0.511 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -79.4 -40.31 30.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.396 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 23' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -54.37 -43.1 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.431 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 24' ' ' PHE . . . . . 0.5 ' CZ ' ' CD2' ' T' ' 77' ' ' PHE . 48.8 m-85 -45.5 -57.83 3.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.382 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -47.22 -51.58 18.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.685 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 11.2 mm -51.6 -48.25 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.591 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 27' ' ' PHE . . . . . 0.544 ' CE1' HG21 ' T' ' 44' ' ' VAL . 54.9 m-85 -67.21 -69.38 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.192 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 28' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' T' ' 35' ' ' SER . 9.4 m -88.26 63.84 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.466 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 29' ' ' LEU . . . . . 0.401 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -82.02 29.08 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.024 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . 163.21 25.65 0.02 OUTLIER Glycine 0 CA--C 1.525 0.662 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.361 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.71 177.8 7.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.818 0.342 . . . . 0.0 110.523 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -79.36 -78.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.523 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 33' ' ' ASP . . . . . 0.489 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 12.9 p-10 -80.14 -69.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.606 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 34' ' ' GLY . . . . . 0.489 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 163.38 29.72 0.02 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 35' ' ' SER . . . . . 0.463 ' O ' ' CG1' ' T' ' 28' ' ' VAL . 94.0 p -85.75 165.63 16.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.805 0.336 . . . . 0.0 110.543 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 36' ' ' ILE . . . . . 0.503 HG22 ' N ' ' T' ' 37' ' ' SER . 67.7 mt -131.47 160.12 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 37' ' ' SER . . . . . 0.503 ' N ' HG22 ' T' ' 36' ' ' ILE . 24.6 t -159.57 176.64 11.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.62 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 38' ' ' THR . . . . . 0.42 ' N ' ' OG ' ' T' ' 37' ' ' SER . 6.8 p -59.93 -0.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 39' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' T' ' 37' ' ' SER . 91.1 mttt -83.9 -60.56 2.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.888 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -83.22 6.44 19.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.066 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.86 -71.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.397 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.98 -44.69 7.41 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.339 -0.704 . . . . 0.0 111.339 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -43.68 -40.23 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.701 0.286 . . . . 0.0 111.002 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 44' ' ' VAL . . . . . 0.544 HG21 ' CE1' ' T' ' 27' ' ' PHE . 87.5 t -79.95 -59.52 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.723 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 59.2 mtp -55.63 -5.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.645 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 46' ' ' ARG . . . . . 0.482 ' H ' ' C ' ' T' ' 44' ' ' VAL . 70.1 ttt180 -80.07 -52.29 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.612 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 60.2 mtm -45.02 -28.62 0.71 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.653 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 48' ' ' LEU . . . . . 0.578 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -70.71 -60.12 2.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.238 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 158.49 -12.81 0.23 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -83.67 165.87 18.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 0.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 51' ' ' ASN . . . . . 0.432 ' O ' ' ND2' ' T' ' 51' ' ' ASN . 0.7 OUTLIER -167.85 58.76 0.42 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.585 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -75.04 172.0 17.23 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.752 2.301 . . . . 0.0 111.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.69 153.34 80.91 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.127 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -64.42 -9.83 21.71 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 122.302 2.001 . . . . 0.0 111.657 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -83.09 -33.58 26.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.557 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -81.62 -30.02 33.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.722 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 57' ' ' LEU . . . . . 0.419 ' C ' ' N ' ' T' ' 59' ' ' GLU . 17.2 mt -68.71 -46.23 69.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 58' ' ' GLN . . . . . 0.423 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.9 tp-100 -46.63 -20.66 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.334 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 59' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' T' ' 57' ' ' LEU . 72.2 mt-10 -66.27 -37.36 85.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.486 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 55.2 mmm -70.51 -35.54 73.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 61' ' ' ILE . . . . . 0.735 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.9 mp -77.84 -13.6 14.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.362 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 62' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' T' ' 64' ' ' VAL . 10.5 t70 -81.29 -42.04 21.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.845 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -74.7 29.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.855 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 64' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' T' ' 66' ' ' GLU . 10.9 m -154.01 -34.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.457 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 65' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' T' ' 71' ' ' THR . 16.1 m-20 -61.88 73.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.417 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 66' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' T' ' 64' ' ' VAL . 34.4 mm-40 -66.83 -31.33 71.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.386 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -84.49 2.93 38.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.532 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 45.73 83.71 0.02 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.761 -0.935 . . . . 0.0 110.761 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 20.8 p -142.72 -12.47 0.77 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.73 0.3 . . . . 0.0 110.682 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.68 44.29 49.2 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 71' ' ' THR . . . . . 0.401 ' O ' ' OD1' ' T' ' 65' ' ' ASP . 59.0 p -151.87 -168.44 3.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.69 0.281 . . . . 0.0 110.443 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 72' ' ' VAL . . . . . 0.584 HG11 ' H6 ' ' T' ' 91' ' ' WW7 . 25.1 t -147.47 73.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.543 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 41.0 p30 -60.16 -162.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.326 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 74' ' ' PHE . . . . . 0.525 ' O ' ' CD2' ' T' ' 74' ' ' PHE . 45.7 t80 -86.6 -4.27 59.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.652 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 75' ' ' ASP . . . . . 0.481 ' C ' ' N ' ' T' ' 77' ' ' PHE . 4.7 m-20 -81.22 -88.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 76' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -46.51 -14.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.738 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 77' ' ' PHE . . . . . 0.878 ' CE2' ' H7 ' ' T' ' 91' ' ' WW7 . 29.3 t80 -46.74 -53.87 10.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.493 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 28.0 mt -69.64 -49.09 57.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.501 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 21.6 t -46.59 -21.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.682 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 80' ' ' MET . . . . . 0.592 ' SD ' H152 ' T' ' 91' ' ' WW7 . 50.4 ttm -70.84 -62.76 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.579 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 81' ' ' MET . . . . . 0.415 ' SD ' ' N ' ' T' ' 81' ' ' MET . 1.8 mpt? -70.59 -47.56 59.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.618 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 90.4 t -44.38 -49.32 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.762 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -68.23 -62.96 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.567 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 69.1 m -46.85 -31.61 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.591 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 7.3 mmt -77.93 -69.23 0.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.624 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -50.73 -22.88 2.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.623 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -158.13 100.71 1.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.547 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' T' T ' 88' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' T' ' 88' ' ' ASP . 1.5 p30 -78.37 125.42 29.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.542 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.577 179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' T' T ' 91' ' ' WW7 . . . . . 0.878 ' H7 ' ' CE2' ' T' ' 77' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 41.2 mtp . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 52.31 48.65 22.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.519 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 3' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' T' ' 5' ' ' TYR . 13.5 m-20 -80.01 -53.29 6.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.637 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 4' ' ' ILE . . . . . 0.649 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -44.0 -15.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 -179.762 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' T' T ' 5' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' T' ' 3' ' ' ASP . 58.1 m-85 -89.65 -39.56 13.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.864 0.364 . . . . 0.0 110.466 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 6' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' T' ' 3' ' ' ASP . 10.1 mmmt -60.64 -49.42 77.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.374 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.67 -32.05 7.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.552 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.5 67.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 18.8 t -72.37 -31.71 39.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.51 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -61.71 -24.27 66.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.582 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -77.42 -32.23 54.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.542 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 17.0 mt -72.55 125.37 27.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.554 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 13' ' ' THR . . . . . 0.479 ' C ' ' H ' ' T' ' 15' ' ' GLU . 8.8 m -78.97 157.85 28.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 14' ' ' GLU . . . . . 0.468 ' O ' ' ND2' ' T' ' 18' ' ' ASN . 59.6 mt-10 -63.58 1.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.533 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 15' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' T' ' 13' ' ' THR . 55.4 mt-10 -83.78 -59.82 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.754 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 16' ' ' GLN . . . . . 0.409 ' OE1' ' N ' ' T' ' 17' ' ' LYS . 0.0 OUTLIER -66.58 -11.64 54.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' T' T ' 17' ' ' LYS . . . . . 0.409 ' N ' ' OE1' ' T' ' 16' ' ' GLN . 81.9 mttt -78.63 -28.65 45.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.815 0.341 . . . . 0.0 110.266 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 18' ' ' ASN . . . . . 0.507 HD22 ' N ' ' T' ' 18' ' ' ASN . 1.2 m-80 -77.93 -15.4 59.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.422 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 19' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -75.88 -35.36 59.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.526 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 20' ' ' PHE . . . . . 0.501 ' O ' ' N ' ' T' ' 23' ' ' ALA . 56.0 m-85 -74.87 -58.22 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.673 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -43.92 -18.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.712 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 22' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -80.52 -36.17 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.393 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 23' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' T' ' 20' ' ' PHE . . . -64.75 -48.43 74.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.588 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 24' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -44.3 -50.03 9.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.556 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 25' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' T' ' 25' ' ' ASP . 1.0 OUTLIER -48.36 -39.13 21.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.276 179.839 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 13.8 mm -68.49 -37.48 77.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.408 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 27' ' ' PHE . . . . . 0.527 ' CD1' HG21 ' T' ' 44' ' ' VAL . 62.1 m-85 -72.62 -64.03 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.216 179.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 28' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' T' ' 35' ' ' SER . 9.7 m -90.46 62.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.543 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 29' ' ' LEU . . . . . 0.424 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -85.5 23.52 1.34 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.545 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' T' T ' 30' ' ' GLY . . . . . 0.414 ' H ' ' H ' ' T' ' 31' ' ' ALA . . . 170.88 16.3 0.02 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 31' ' ' ALA . . . . . 0.414 ' H ' ' H ' ' T' ' 30' ' ' GLY . . . -82.77 161.5 22.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.806 0.336 . . . . 0.0 110.548 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.76 -83.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 33' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' T' ' 34' ' ' GLY . 8.4 p30 -78.29 -102.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.527 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 34' ' ' GLY . . . . . 0.498 ' N ' ' OD1' ' T' ' 33' ' ' ASP . . . -157.0 30.25 0.54 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.749 -0.94 . . . . 0.0 110.749 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 35' ' ' SER . . . . . 0.467 ' O ' ' CG1' ' T' ' 28' ' ' VAL . 9.9 p -83.12 166.42 18.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.803 0.335 . . . . 0.0 110.506 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 36' ' ' ILE . . . . . 0.423 HD12 ' H6 ' ' T' ' 91' ' ' WW7 . 41.3 mt -136.82 89.93 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.481 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 37' ' ' SER . . . . . . . . . . . . . 23.2 t -79.79 -173.34 3.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.474 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 38' ' ' THR . . . . . . . . . . . . . 42.8 p -72.91 -9.07 58.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.582 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 39' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -80.35 -51.47 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.674 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -79.03 -0.92 33.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.76 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 41' ' ' LEU . . . . . 0.4 ' O ' HD13 ' T' ' 41' ' ' LEU . 0.2 OUTLIER -79.36 -62.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.429 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -50.16 -43.5 42.05 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 43' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -42.78 -52.92 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.629 0.252 . . . . 0.0 111.022 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 44' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' T' ' 27' ' ' PHE . 93.2 t -66.25 -53.44 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.72 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 20.8 mmt -50.21 -16.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.576 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 46' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' T' ' 44' ' ' VAL . 72.2 ttt180 -57.14 -58.47 8.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.566 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 61.4 mtm -54.21 -29.75 47.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.583 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 48' ' ' LEU . . . . . 0.602 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -76.95 13.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.33 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.59 43.25 99.53 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -141.07 158.73 43.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.747 0.308 . . . . 0.0 110.239 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -172.04 63.39 0.34 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.698 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -77.88 172.46 15.59 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.747 2.298 . . . . 0.0 112.013 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.28 153.46 95.18 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.182 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.14 -6.54 18.55 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.257 1.971 . . . . 0.0 111.8 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 -83.83 -32.2 25.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.642 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -79.89 -37.66 34.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.716 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 29.0 mt -65.68 -43.3 89.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.582 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 58' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.7 tp-100 -46.95 -25.25 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.33 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -58.99 -39.47 81.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.352 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 59.5 mmm -68.96 -37.69 78.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.363 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 61' ' ' ILE . . . . . 0.718 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.9 mp -73.56 -32.2 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.119 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -78.54 44.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.663 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -149.02 -50.81 0.15 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.445 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 64' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' T' ' 66' ' ' GLU . 35.1 m -78.47 -38.75 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.572 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 65' ' ' ASP . . . . . 0.441 ' N ' HG23 ' T' ' 64' ' ' VAL . 56.5 m-20 -60.09 79.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.461 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 66' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' T' ' 64' ' ' VAL . 66.4 mm-40 -73.63 45.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.303 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 67' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' T' ' 69' ' ' SER . 1.7 p30 -158.64 -22.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.523 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.88 28.32 38.44 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.056 -0.817 . . . . 0.0 111.056 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 69' ' ' SER . . . . . 0.511 ' N ' ' OD1' ' T' ' 67' ' ' ASP . 45.4 p -82.12 -30.49 31.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.778 0.323 . . . . 0.0 110.611 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.42 41.27 16.97 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 71' ' ' THR . . . . . 0.441 ' N ' ' OD2' ' T' ' 65' ' ' ASP . 44.6 p -153.21 126.49 8.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.791 0.329 . . . . 0.0 110.613 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 96.4 t -85.72 87.47 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.394 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 73' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' T' ' 75' ' ' ASP . 10.0 p30 -62.43 -154.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 74' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -102.19 -9.77 20.17 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.812 0.339 . . . . 0.0 110.561 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 75' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' T' ' 73' ' ' ASP . 5.4 m-20 -84.5 -87.94 0.11 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 76' ' ' GLU . . . . . 0.427 ' OE2' ' OD1' ' T' ' 65' ' ' ASP . 6.2 pt-20 -44.02 -17.58 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 77' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' T' ' 75' ' ' ASP . 48.2 t80 -50.83 -30.55 14.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.352 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 78' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' T' ' 80' ' ' MET . 23.7 mt -78.38 -53.76 6.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.267 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 79' ' ' VAL . . . . . 0.416 ' O ' HG12 ' T' ' 79' ' ' VAL . 41.2 t -51.06 -11.34 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.389 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 80' ' ' MET . . . . . 0.468 ' H ' ' C ' ' T' ' 78' ' ' LEU . 26.3 ttt -69.52 -66.25 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.876 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 81' ' ' MET . . . . . 0.633 ' SD ' H141 ' T' ' 91' ' ' WW7 . 25.1 mtm -81.46 -40.72 22.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 93.6 t -44.21 -33.01 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.685 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 83' ' ' ARG . . . . . . . . . . . . . 74.4 mtp180 -78.48 -49.74 12.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.528 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -63.93 -26.16 68.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.609 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 85' ' ' MET . . . . . . . . . . . . . 70.2 mtp -78.82 -57.41 3.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.601 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -52.71 -26.92 15.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 87' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -160.92 106.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.598 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 88' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -77.46 149.47 35.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.571 179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' T' T ' 91' ' ' WW7 . . . . . 0.633 H141 ' SD ' ' T' ' 81' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 1' ' ' MET . . . . . . . . . . . . . 58.2 mtp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' T' T ' 2' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 58.38 67.18 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.493 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 3' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' T' ' 5' ' ' TYR . 57.6 m-20 -82.58 -72.76 0.43 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.718 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 4' ' ' ILE . . . . . 0.654 HD13 ' N ' ' T' ' 4' ' ' ILE . 0.1 OUTLIER -43.52 -16.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.254 -179.635 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' T' T ' 5' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' T' ' 3' ' ' ASP . 54.7 m-85 -89.67 -49.72 6.49 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.801 0.334 . . . . 0.0 110.341 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 6' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -56.61 -40.17 74.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.31 -39.99 33.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.59 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.17 -42.07 39.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.611 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 9' ' ' VAL . . . . . . . . . . . . . 63.1 t -56.54 -25.72 21.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -74.09 -28.33 61.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.633 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 11' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -72.74 -21.51 61.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 mt -78.53 112.82 15.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.629 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 13' ' ' THR . . . . . 0.486 ' C ' ' H ' ' T' ' 15' ' ' GLU . 6.4 m -80.95 160.43 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 14' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -63.35 2.03 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.565 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 15' ' ' GLU . . . . . 0.486 ' H ' ' C ' ' T' ' 13' ' ' THR . 38.8 mt-10 -85.33 -51.72 6.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.58 5.66 8.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.974 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 17' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -97.42 -23.96 15.84 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.499 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 18' ' ' ASN . . . . . 0.511 HD22 ' N ' ' T' ' 18' ' ' ASN . 1.3 m120 -58.03 -26.59 62.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.779 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 19' ' ' GLU . . . . . 0.488 ' H ' ' CD ' ' T' ' 19' ' ' GLU . 2.3 pm0 -80.93 -48.71 11.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.334 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 20' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -60.23 -57.39 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.447 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 21' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -48.29 -25.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.454 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.46 -42.95 24.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.426 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.6 -53.91 13.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.537 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 24' ' ' PHE . . . . . 0.407 ' O ' HG22 ' T' ' 28' ' ' VAL . 71.6 m-85 -42.65 -57.68 2.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.616 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -44.13 -34.32 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 26' ' ' ILE . . . . . . . . . . . . . 11.7 mm -71.73 -58.4 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.607 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 27' ' ' PHE . . . . . 0.497 ' CD1' HG21 ' T' ' 44' ' ' VAL . 82.2 m-85 -55.95 -17.01 5.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.688 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 28' ' ' VAL . . . . . 0.407 HG22 ' O ' ' T' ' 24' ' ' PHE . 3.9 m -150.15 73.91 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.46 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 29' ' ' LEU . . . . . 0.437 ' C ' HD12 ' T' ' 29' ' ' LEU . 0.3 OUTLIER -95.6 24.36 5.32 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.61 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' T' T ' 30' ' ' GLY . . . . . . . . . . . . . . . -164.23 5.41 0.07 OUTLIER Glycine 0 CA--C 1.527 0.794 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.62 167.66 20.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.537 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 32' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -73.51 -71.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.401 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 33' ' ' ASP . . . . . 0.494 ' CG ' ' H ' ' T' ' 34' ' ' GLY . 3.6 p-10 -80.41 -71.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.467 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 34' ' ' GLY . . . . . 0.494 ' H ' ' CG ' ' T' ' 33' ' ' ASP . . . 157.69 23.65 0.03 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 35' ' ' SER . . . . . . . . . . . . . 56.8 p -82.97 127.2 33.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.836 0.351 . . . . 0.0 110.609 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 36' ' ' ILE . . . . . 0.443 HG22 ' N ' ' T' ' 37' ' ' SER . 55.6 mt -86.35 158.03 3.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.388 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 37' ' ' SER . . . . . 0.474 ' C ' ' H ' ' T' ' 39' ' ' LYS . 7.9 t -157.32 165.48 35.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.62 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 38' ' ' THR . . . . . 0.429 ' H ' HG23 ' T' ' 38' ' ' THR . 5.3 p -54.21 -6.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.734 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 39' ' ' LYS . . . . . 0.474 ' H ' ' C ' ' T' ' 37' ' ' SER . 91.5 mttt -81.19 -57.76 3.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.894 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -85.66 5.68 30.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.998 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 41' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' T' ' 43' ' ' LYS . 0.2 OUTLIER -76.37 -70.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.281 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' T' T ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.42 -12.59 0.11 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 43' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' T' ' 41' ' ' LEU . 77.5 tttt -73.71 -40.86 63.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.74 0.305 . . . . 0.0 110.595 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 44' ' ' VAL . . . . . 0.497 HG21 ' CD1' ' T' ' 27' ' ' PHE . 98.8 t -79.26 -44.25 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.694 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 45' ' ' MET . . . . . . . . . . . . . 56.6 mtp -62.9 -12.24 23.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.67 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 46' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -70.06 -36.4 74.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.5 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 47' ' ' MET . . . . . . . . . . . . . 41.0 mtt -57.86 -34.99 70.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.612 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 48' ' ' LEU . . . . . 0.595 ' N ' HD12 ' T' ' 48' ' ' LEU . 7.2 mp -70.08 -79.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.359 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 49' ' ' GLY . . . . . . . . . . . . . . . 170.25 41.26 0.03 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 50' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -140.95 164.07 31.25 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.799 0.333 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 51' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -172.05 60.25 0.28 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.717 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 52' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -76.65 -178.84 4.8 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.834 2.356 . . . . 0.0 111.961 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 53' ' ' THR . . . . . 0.428 ' H ' HG22 ' T' ' 53' ' ' THR . 0.1 OUTLIER -78.56 153.21 78.61 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.124 179.848 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' T' T ' 54' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -66.84 -3.7 9.93 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.231 1.954 . . . . 0.0 111.731 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 55' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -81.24 -34.6 32.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 56' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -81.79 -39.73 23.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.704 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 57' ' ' LEU . . . . . . . . . . . . . 66.8 mt -61.66 -40.75 96.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.479 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 58' ' ' GLN . . . . . 0.422 ' O ' ' OE1' ' T' ' 58' ' ' GLN . 7.5 tp-100 -47.19 -30.54 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.238 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 59' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -56.91 -32.5 65.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.516 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 60' ' ' MET . . . . . . . . . . . . . 56.4 mmm -78.39 -40.07 37.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.5 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 61' ' ' ILE . . . . . 0.716 ' N ' HD12 ' T' ' 61' ' ' ILE . 1.8 mp -77.54 -8.85 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 62' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -81.63 -59.98 2.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.771 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -45.6 -42.38 11.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.804 -179.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 64' ' ' VAL . . . . . 0.475 HG23 ' N ' ' T' ' 65' ' ' ASP . 30.0 m -74.13 -44.31 50.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.717 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 65' ' ' ASP . . . . . 0.475 ' N ' HG23 ' T' ' 64' ' ' VAL . 32.9 m-20 -65.77 82.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.517 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 66' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -64.62 -35.01 79.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.4 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 67' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' T' ' 67' ' ' ASP . 16.0 p30 -81.09 -27.0 35.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.53 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.01 33.53 23.56 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 69' ' ' SER . . . . . . . . . . . . . 90.7 p -80.23 -20.72 43.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 110.598 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.35 40.08 11.72 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 71' ' ' THR . . . . . 0.429 ' O ' ' OE2' ' T' ' 76' ' ' GLU . 44.1 p -153.26 129.46 10.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.809 0.338 . . . . 0.0 110.401 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 72' ' ' VAL . . . . . . . . . . . . . 58.8 t -83.6 85.08 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.6 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 73' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.51 154.08 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.292 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 74' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' T' ' 74' ' ' PHE . 45.8 t80 -60.15 -13.73 13.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 75' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -79.51 -64.41 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 76' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' T' ' 71' ' ' THR . 20.8 pt-20 -68.83 -10.43 56.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.81 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 77' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -62.64 -55.99 21.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.586 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 78' ' ' LEU . . . . . . . . . . . . . 45.7 mt -51.2 -41.04 59.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.57 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 79' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.78 -32.34 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.499 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 80' ' ' MET . . . . . . . . . . . . . 4.3 ttt -59.36 -34.61 72.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.633 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 81' ' ' MET . . . . . 0.561 ' N ' ' SD ' ' T' ' 81' ' ' MET . 0.0 OUTLIER -80.59 -59.75 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.763 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' T' T ' 82' ' ' VAL . . . . . . . . . . . . . 38.8 t -43.03 -43.05 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 83' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' T' ' 87' ' ' ASP . 79.2 mtp180 -63.8 -70.95 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.481 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 84' ' ' SER . . . . . . . . . . . . . 5.6 m -46.89 -30.74 2.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.586 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 85' ' ' MET . . . . . 0.436 ' C ' ' N ' ' T' ' 87' ' ' ASP . 12.5 mmt -78.68 -83.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.606 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 86' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -50.21 -13.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.663 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' T' T ' 87' ' ' ASP . . . . . 0.436 ' N ' ' C ' ' T' ' 85' ' ' MET . 31.9 m-20 -158.49 92.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.61 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 88' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' T' ' 88' ' ' ASP . 22.3 p-10 -79.2 116.34 19.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.489 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' T' T ' 89' ' ' SER . . . . . . . . . . . . . 61.6 p . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.584 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' T' T ' 90' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' T' T ' 91' ' ' WW7 . . . . . 0.579 H132 ' C2 ' ' T' ' 91' ' ' WW7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_